4-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]-N,N-dimethyloxane-4-carboxamide;2-[2-(cyclohexen-1-yl)-4-(4-hydroxyoxan-4-yl)phenyl]-1-(5-ethynyl-1H-imidazol-2-yl)ethanone;4-[3-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]-N,N-dimethyloxane-4-carboxamide;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-[(2R,6S)-4-hydroxy-2,6-dimethyloxan-4-yl]phenyl]-1-(5-ethynyl-1H-imidazol-2-yl)ethanone;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-[4-(morpholine-4-carbonyl)oxan-4-yl]phenyl]-1-(5-ethynyl-1H-imidazol-2-yl)ethanone

C139H163N13O16 — CID 159884971

About 4-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]-N,N-dimethyloxane-4-carboxamide;2-[2-(cyclohexen-1-yl)-4-(4-hydroxyoxan-4-yl)phenyl]-1-(5-ethynyl-1H-imidazol-2-yl)ethanone;4-[3-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]-N,N-dimethyloxane-4-carboxamide;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-[(2R,6S)-4-hydroxy-2,6-dimethyloxan-4-yl]phenyl]-1-(5-ethynyl-1H-imidazol-2-yl)ethanone;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-[4-(morpholine-4-carbonyl)oxan-4-yl]phenyl]-1-(5-ethynyl-1H-imidazol-2-yl)ethanone

4-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]-N,N-dimethyloxane-4-carboxamide;2-[2-(cyclohexen-1-yl)-4-(4-hydroxyoxan-4-yl)phenyl]-1-(5-ethynyl-1H-imidazol-2-yl)ethanone;4-[3-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]-N,N-dimethyloxane-4-carboxamide;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-[(2R,6S)-4-hydroxy-2,6-dimethyloxan-4-yl]phenyl]-1-(5-ethynyl-1H-imidazol-2-yl)ethanone;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-[4-(morpholine-4-carbonyl)oxan-4-yl]phenyl]-1-(5-ethynyl-1H-imidazol-2-yl)ethanone (PubChem CID 159884971) has the molecular formula C139H163N13O16 and a molecular weight of 2271.91 g/mol. Its IUPAC name is 4-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]-N,N-dimethyloxane-4-carboxamide;2-[2-(cyclohexen-1-yl)-4-(4-hydroxyoxan-4-yl)phenyl]-1-(5-ethynyl-1H-imidazol-2-yl)ethanone;4-[3-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]-N,N-dimethyloxane-4-carboxamide;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-[(2R,6S)-4-hydroxy-2,6-dimethyloxan-4-yl]phenyl]-1-(5-ethynyl-1H-imidazol-2-yl)ethanone;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-[4-(morpholine-4-carbonyl)oxan-4-yl]phenyl]-1-(5-ethynyl-1H-imidazol-2-yl)ethanone.

Molecular Properties

• Compound Name: 4-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]-N,N-dimethyloxane-4-carboxamide;2-[2-(cyclohexen-1-yl)-4-(4-hydroxyoxan-4-yl)phenyl]-1-(5-ethynyl-1H-imidazol-2-yl)ethanone;4-[3-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]-N,N-dimethyloxane-4-carboxamide;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-[(2R,6S)-4-hydroxy-2,6-dimethyloxan-4-yl]phenyl]-1-(5-ethynyl-1H-imidazol-2-yl)ethanone;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-[4-(morpholine-4-carbonyl)oxan-4-yl]phenyl]-1-(5-ethynyl-1H-imidazol-2-yl)ethanone
• PubChem CID: 159884971
• Molecular Formula: C139H163N13O16
• Molecular Weight: 2271.91 g/mol
• Exact Mass: 2270.23
• IUPAC Name: 4-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]-N,N-dimethyloxane-4-carboxamide;2-[2-(cyclohexen-1-yl)-4-(4-hydroxyoxan-4-yl)phenyl]-1-(5-ethynyl-1H-imidazol-2-yl)ethanone;4-[3-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]-N,N-dimethyloxane-4-carboxamide;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-[(2R,6S)-4-hydroxy-2,6-dimethyloxan-4-yl]phenyl]-1-(5-ethynyl-1H-imidazol-2-yl)ethanone;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-[4-(morpholine-4-carbonyl)oxan-4-yl]phenyl]-1-(5-ethynyl-1H-imidazol-2-yl)ethanone
• SMILES: C#Cc1cnc(C(=O)Cc2ccc(C3(C(=O)N(C)C)CCOCC3)cc2C2=CCC(C)(C)CC2)[nH]1.C#Cc1cnc(C(=O)Cc2ccc(C3(C(=O)N(C)C)CCOCC3)cc2C2=CCCCC2)[nH]1.C#Cc1cnc(C(=O)Cc2ccc(C3(C(=O)N4CCOCC4)CCOCC3)cc2C2=CCC(C)(C)CC2)[nH]1.C#Cc1cnc(C(=O)Cc2ccc(C3(O)CCOCC3)cc2C2=CCCCC2)[nH]1.C#Cc1cnc(C(=O)Cc2ccc(C3(O)C[C@@H](C)O[C@@H](C)C3)cc2C2=CCC(C)(C)CC2)[nH]1
• InChI: InChI=1S/C31H37N3O4.C29H35N3O3.C28H34N2O3.C27H31N3O3.C24H26N2O3/c1-4-25-21-32-28(33-25)27(35)19-23-5-6-24(20-26(23)22-7-9-30(2,3)10-8-22)31(11-15-37-16-12-31)29(36)34-13-17-38-18-14-34;1-6-23-19-30-26(31-23)25(33)17-21-7-8-22(18-24(21)20-9-11-28(2,3)12-10-20)29(27(34)32(4)5)13-15-35-16-14-29;1-6-23-17-29-26(30-23)25(31)13-21-7-8-22(28(32)15-18(2)33-19(3)16-28)14-24(21)20-9-11-27(4,5)12-10-20;1-4-22-18-28-25(29-22)24(31)16-20-10-11-21(17-23(20)19-8-6-5-7-9-19)27(26(32)30(2)3)12-14-33-15-13-27;1-2-20-16-25-23(26-20)22(27)14-18-8-9-19(24(28)10-12-29-13-11-24)15-21(18)17-6-4-3-5-7-17/h1,5-7,20-21H,8-19H2,2-3H3,(H,32,33);1,7-9,18-19H,10-17H2,2-5H3,(H,30,31);1,7-9,14,17-19,32H,10-13,15-16H2,2-5H3,(H,29,30);1,8,10-11,17-18H,5-7,9,12-16H2,2-3H3,(H,28,29);1,6,8-9,15-16,28H,3-5,7,10-14H2,(H,25,26)/t;;18-,19+,28?
• InChIKey: NUAALRQCVYFDDS-YQTHHBGNSA-N
• XLogP: 21.73
• TPSA: 385.52 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 21
• Rotatable Bonds: 28
• Heavy Atoms: 168
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2271.91
LogP ≤ 5	21.73
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]-N,N-dimethyloxane-4-carboxamide;2-[2-(cyclohexen-1-yl)-4-(4-hydroxyoxan-4-yl)phenyl]-1-(5-ethynyl-1H-imidazol-2-yl)ethanone;4-[3-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]-N,N-dimethyloxane-4-carboxamide;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-[(2R,6S)-4-hydroxy-2,6-dimethyloxan-4-yl]phenyl]-1-(5-ethynyl-1H-imidazol-2-yl)ethanone;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-[4-(morpholine-4-carbonyl)oxan-4-yl]phenyl]-1-(5-ethynyl-1H-imidazol-2-yl)ethanone?

The IUPAC name of 4-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]-N,N-dimethyloxane-4-carboxamide;2-[2-(cyclohexen-1-yl)-4-(4-hydroxyoxan-4-yl)phenyl]-1-(5-ethynyl-1H-imidazol-2-yl)ethanone;4-[3-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]-N,N-dimethyloxane-4-carboxamide;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-[(2R,6S)-4-hydroxy-2,6-dimethyloxan-4-yl]phenyl]-1-(5-ethynyl-1H-imidazol-2-yl)ethanone;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-[4-(morpholine-4-carbonyl)oxan-4-yl]phenyl]-1-(5-ethynyl-1H-imidazol-2-yl)ethanone (CID 159884971) is 4-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]-N,N-dimethyloxane-4-carboxamide;2-[2-(cyclohexen-1-yl)-4-(4-hydroxyoxan-4-yl)phenyl]-1-(5-ethynyl-1H-imidazol-2-yl)ethanone;4-[3-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]-N,N-dimethyloxane-4-carboxamide;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-[(2R,6S)-4-hydroxy-2,6-dimethyloxan-4-yl]phenyl]-1-(5-ethynyl-1H-imidazol-2-yl)ethanone;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-[4-(morpholine-4-carbonyl)oxan-4-yl]phenyl]-1-(5-ethynyl-1H-imidazol-2-yl)ethanone.

What is the SMILES notation for 4-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]-N,N-dimethyloxane-4-carboxamide;2-[2-(cyclohexen-1-yl)-4-(4-hydroxyoxan-4-yl)phenyl]-1-(5-ethynyl-1H-imidazol-2-yl)ethanone;4-[3-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]-N,N-dimethyloxane-4-carboxamide;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-[(2R,6S)-4-hydroxy-2,6-dimethyloxan-4-yl]phenyl]-1-(5-ethynyl-1H-imidazol-2-yl)ethanone;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-[4-(morpholine-4-carbonyl)oxan-4-yl]phenyl]-1-(5-ethynyl-1H-imidazol-2-yl)ethanone?

The canonical SMILES for 4-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]-N,N-dimethyloxane-4-carboxamide;2-[2-(cyclohexen-1-yl)-4-(4-hydroxyoxan-4-yl)phenyl]-1-(5-ethynyl-1H-imidazol-2-yl)ethanone;4-[3-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]-N,N-dimethyloxane-4-carboxamide;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-[(2R,6S)-4-hydroxy-2,6-dimethyloxan-4-yl]phenyl]-1-(5-ethynyl-1H-imidazol-2-yl)ethanone;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-[4-(morpholine-4-carbonyl)oxan-4-yl]phenyl]-1-(5-ethynyl-1H-imidazol-2-yl)ethanone is C#Cc1cnc(C(=O)Cc2ccc(C3(C(=O)N(C)C)CCOCC3)cc2C2=CCC(C)(C)CC2)[nH]1.C#Cc1cnc(C(=O)Cc2ccc(C3(C(=O)N(C)C)CCOCC3)cc2C2=CCCCC2)[nH]1.C#Cc1cnc(C(=O)Cc2ccc(C3(C(=O)N4CCOCC4)CCOCC3)cc2C2=CCC(C)(C)CC2)[nH]1.C#Cc1cnc(C(=O)Cc2ccc(C3(O)CCOCC3)cc2C2=CCCCC2)[nH]1.C#Cc1cnc(C(=O)Cc2ccc(C3(O)C[C@@H](C)O[C@@H](C)C3)cc2C2=CCC(C)(C)CC2)[nH]1.

What is the InChIKey of 4-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]-N,N-dimethyloxane-4-carboxamide;2-[2-(cyclohexen-1-yl)-4-(4-hydroxyoxan-4-yl)phenyl]-1-(5-ethynyl-1H-imidazol-2-yl)ethanone;4-[3-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]-N,N-dimethyloxane-4-carboxamide;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-[(2R,6S)-4-hydroxy-2,6-dimethyloxan-4-yl]phenyl]-1-(5-ethynyl-1H-imidazol-2-yl)ethanone;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-[4-(morpholine-4-carbonyl)oxan-4-yl]phenyl]-1-(5-ethynyl-1H-imidazol-2-yl)ethanone?

The InChIKey is NUAALRQCVYFDDS-YQTHHBGNSA-N. The full InChI is InChI=1S/C31H37N3O4.C29H35N3O3.C28H34N2O3.C27H31N3O3.C24H26N2O3/c1-4-25-21-32-28(33-25)27(35)19-23-5-6-24(20-26(23)22-7-9-30(2,3)10-8-22)31(11-15-37-16-12-31)29(36)34-13-17-38-18-14-34;1-6-23-19-30-26(31-23)25(33)17-21-7-8-22(18-24(21)20-9-11-28(2,3)12-10-20)29(27(34)32(4)5)13-15-35-16-14-29;1-6-23-17-29-26(30-23)25(31)13-21-7-8-22(28(32)15-18(2)33-19(3)16-28)14-24(21)20-9-11-27(4,5)12-10-20;1-4-22-18-28-25(29-22)24(31)16-20-10-11-21(17-23(20)19-8-6-5-7-9-19)27(26(32)30(2)3)12-14-33-15-13-27;1-2-20-16-25-23(26-20)22(27)14-18-8-9-19(24(28)10-12-29-13-11-24)15-21(18)17-6-4-3-5-7-17/h1,5-7,20-21H,8-19H2,2-3H3,(H,32,33);1,7-9,18-19H,10-17H2,2-5H3,(H,30,31);1,7-9,14,17-19,32H,10-13,15-16H2,2-5H3,(H,29,30);1,8,10-11,17-18H,5-7,9,12-16H2,2-3H3,(H,28,29);1,6,8-9,15-16,28H,3-5,7,10-14H2,(H,25,26)/t;;18-,19+,28?;;.

What are the key properties of 4-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]-N,N-dimethyloxane-4-carboxamide;2-[2-(cyclohexen-1-yl)-4-(4-hydroxyoxan-4-yl)phenyl]-1-(5-ethynyl-1H-imidazol-2-yl)ethanone;4-[3-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]-N,N-dimethyloxane-4-carboxamide;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-[(2R,6S)-4-hydroxy-2,6-dimethyloxan-4-yl]phenyl]-1-(5-ethynyl-1H-imidazol-2-yl)ethanone;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-[4-(morpholine-4-carbonyl)oxan-4-yl]phenyl]-1-(5-ethynyl-1H-imidazol-2-yl)ethanone?

4-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]-N,N-dimethyloxane-4-carboxamide;2-[2-(cyclohexen-1-yl)-4-(4-hydroxyoxan-4-yl)phenyl]-1-(5-ethynyl-1H-imidazol-2-yl)ethanone;4-[3-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]-N,N-dimethyloxane-4-carboxamide;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-[(2R,6S)-4-hydroxy-2,6-dimethyloxan-4-yl]phenyl]-1-(5-ethynyl-1H-imidazol-2-yl)ethanone;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-[4-(morpholine-4-carbonyl)oxan-4-yl]phenyl]-1-(5-ethynyl-1H-imidazol-2-yl)ethanone has a molecular weight of 2271.91 g/mol, XLogP of 21.73, 28 rotatable bonds, 7 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]-N,N-dimethyloxane-4-carboxamide;2-[2-(cyclohexen-1-yl)-4-(4-hydroxyoxan-4-yl)phenyl]-1-(5-ethynyl-1H-imidazol-2-yl)ethanone;4-[3-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]-N,N-dimethyloxane-4-carboxamide;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-[(2R,6S)-4-hydroxy-2,6-dimethyloxan-4-yl]phenyl]-1-(5-ethynyl-1H-imidazol-2-yl)ethanone;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-[4-(morpholine-4-carbonyl)oxan-4-yl]phenyl]-1-(5-ethynyl-1H-imidazol-2-yl)ethanone is sourced from PubChem (CID 159884971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).