5-(cyclohexanecarbonyl)-9-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1,5-diazacycloundecan-2-one

C21H34N4O3 — CID 110200342

IUPAC5-(cyclohexanecarbonyl)-9-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1,5-diazacycloundecan-2-one
SMILESCC(C)c1noc(C2CCCN(C(=O)C3CCCCC3)CCC(=O)NCC2)n1
InChIInChI=1S/C21H34N4O3/c1-15(2)19-23-20(28-24-19)16-9-6-13-25(14-11-18(26)22-12-10-16)21(27)17-7-4-3-5-8-17/h15-17H,3-14H2,1-2H3,(H,22,26)
InChIKeyPREMPWJXOYVCTI-UHFFFAOYSA-N
MW390.53 g/mol
LogP3.38
Rot. Bonds3

About 5-(cyclohexanecarbonyl)-9-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1,5-diazacycloundecan-2-one

5-(cyclohexanecarbonyl)-9-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1,5-diazacycloundecan-2-one (PubChem CID 110200342) has the molecular formula C21H34N4O3 and a molecular weight of 390.53 g/mol. Its IUPAC name is 5-(cyclohexanecarbonyl)-9-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1,5-diazacycloundecan-2-one.

Molecular Properties

Compound Name5-(cyclohexanecarbonyl)-9-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1,5-diazacycloundecan-2-one
PubChem CID110200342
Molecular FormulaC21H34N4O3
Molecular Weight390.53 g/mol
Exact Mass390.26
IUPAC Name5-(cyclohexanecarbonyl)-9-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1,5-diazacycloundecan-2-one
SMILESCC(C)c1noc(C2CCCN(C(=O)C3CCCCC3)CCC(=O)NCC2)n1
InChIInChI=1S/C21H34N4O3/c1-15(2)19-23-20(28-24-19)16-9-6-13-25(14-11-18(26)22-12-10-16)21(27)17-7-4-3-5-8-17/h15-17H,3-14H2,1-2H3,(H,22,26)
InChIKeyPREMPWJXOYVCTI-UHFFFAOYSA-N
XLogP3.38
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(cyclohexanecarbonyl)-9-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1,5-diazacycloundecan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(cyclohexanecarbonyl)-9-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1,5-diazacycloundecan-2-one?
The IUPAC name of 5-(cyclohexanecarbonyl)-9-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1,5-diazacycloundecan-2-one (CID 110200342) is 5-(cyclohexanecarbonyl)-9-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1,5-diazacycloundecan-2-one.
What is the SMILES notation for 5-(cyclohexanecarbonyl)-9-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1,5-diazacycloundecan-2-one?
The canonical SMILES for 5-(cyclohexanecarbonyl)-9-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1,5-diazacycloundecan-2-one is CC(C)c1noc(C2CCCN(C(=O)C3CCCCC3)CCC(=O)NCC2)n1.
What is the InChIKey of 5-(cyclohexanecarbonyl)-9-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1,5-diazacycloundecan-2-one?
The InChIKey is PREMPWJXOYVCTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N4O3/c1-15(2)19-23-20(28-24-19)16-9-6-13-25(14-11-18(26)22-12-10-16)21(27)17-7-4-3-5-8-17/h15-17H,3-14H2,1-2H3,(H,22,26).
What are the key properties of 5-(cyclohexanecarbonyl)-9-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1,5-diazacycloundecan-2-one?
5-(cyclohexanecarbonyl)-9-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1,5-diazacycloundecan-2-one has a molecular weight of 390.53 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclohexanecarbonyl)-9-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1,5-diazacycloundecan-2-one is sourced from PubChem (CID 110200342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).