N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[3.1.1]hept-4-enyl]methyl]-N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]oxane-4-carboxamide

C30H33N5O4 — CID 167077894

About N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[3.1.1]hept-4-enyl]methyl]-N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]oxane-4-carboxamide

N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[3.1.1]hept-4-enyl]methyl]-N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]oxane-4-carboxamide (PubChem CID 167077894) has the molecular formula C30H33N5O4 and a molecular weight of 527.63 g/mol. Its IUPAC name is N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[3.1.1]hept-4-enyl]methyl]-N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]oxane-4-carboxamide.

Molecular Properties

• Compound Name: N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[3.1.1]hept-4-enyl]methyl]-N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]oxane-4-carboxamide
• PubChem CID: 167077894
• Molecular Formula: C30H33N5O4
• Molecular Weight: 527.63 g/mol
• Exact Mass: 527.25
• IUPAC Name: N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[3.1.1]hept-4-enyl]methyl]-N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]oxane-4-carboxamide
• SMILES: O=C(C1CCOCC1)N(CC12CCC(c3nc(C4CC4)no3)=C(C1)C2)c1cccc(-c2nc(C3CC3)no2)c1
• InChI: InChI=1S/C30H33N5O4/c36-29(20-9-12-37-13-10-20)35(23-3-1-2-21(14-23)27-31-25(33-38-27)18-4-5-18)17-30-11-8-24(22(15-30)16-30)28-32-26(34-39-28)19-6-7-19/h1-3,14,18-20H,4-13,15-17H2
• InChIKey: YVTPKLMGFQZIAI-UHFFFAOYSA-N
• XLogP: 5.66
• TPSA: 107.38 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	527.63
LogP ≤ 5	5.66
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[3.1.1]hept-4-enyl]methyl]-N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]oxane-4-carboxamide?

The IUPAC name of N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[3.1.1]hept-4-enyl]methyl]-N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]oxane-4-carboxamide (CID 167077894) is N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[3.1.1]hept-4-enyl]methyl]-N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]oxane-4-carboxamide.

What is the SMILES notation for N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[3.1.1]hept-4-enyl]methyl]-N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]oxane-4-carboxamide?

The canonical SMILES for N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[3.1.1]hept-4-enyl]methyl]-N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]oxane-4-carboxamide is O=C(C1CCOCC1)N(CC12CCC(c3nc(C4CC4)no3)=C(C1)C2)c1cccc(-c2nc(C3CC3)no2)c1.

What is the InChIKey of N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[3.1.1]hept-4-enyl]methyl]-N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]oxane-4-carboxamide?

The InChIKey is YVTPKLMGFQZIAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N5O4/c36-29(20-9-12-37-13-10-20)35(23-3-1-2-21(14-23)27-31-25(33-38-27)18-4-5-18)17-30-11-8-24(22(15-30)16-30)28-32-26(34-39-28)19-6-7-19/h1-3,14,18-20H,4-13,15-17H2.

What are the key properties of N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[3.1.1]hept-4-enyl]methyl]-N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]oxane-4-carboxamide?

N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[3.1.1]hept-4-enyl]methyl]-N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]oxane-4-carboxamide has a molecular weight of 527.63 g/mol, XLogP of 5.66, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[3.1.1]hept-4-enyl]methyl]-N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]oxane-4-carboxamide is sourced from PubChem (CID 167077894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).