N-[(1S,3S)-3-[[5-(cyclohexylmethyl)-1,2-oxazol-3-yl]methyl]-2,2-dimethylcyclobutyl]cyclopentanecarboxamide

C23H36N2O2 — CID 56774180

IUPACN-[(1S,3S)-3-[[5-(cyclohexylmethyl)-1,2-oxazol-3-yl]methyl]-2,2-dimethylcyclobutyl]cyclopentanecarboxamide
SMILESCC1(C)[C@H](Cc2cc(CC3CCCCC3)on2)C[C@@H]1NC(=O)C1CCCC1
InChIInChI=1S/C23H36N2O2/c1-23(2)18(14-21(23)24-22(26)17-10-6-7-11-17)13-19-15-20(27-25-19)12-16-8-4-3-5-9-16/h15-18,21H,3-14H2,1-2H3,(H,24,26)/t18-,21+/m1/s1
InChIKeyJMDDOPRJYJSLFF-NQIIRXRSSA-N
MW372.55 g/mol
LogP5.06
Rot. Bonds6

About N-[(1S,3S)-3-[[5-(cyclohexylmethyl)-1,2-oxazol-3-yl]methyl]-2,2-dimethylcyclobutyl]cyclopentanecarboxamide

N-[(1S,3S)-3-[[5-(cyclohexylmethyl)-1,2-oxazol-3-yl]methyl]-2,2-dimethylcyclobutyl]cyclopentanecarboxamide (PubChem CID 56774180) has the molecular formula C23H36N2O2 and a molecular weight of 372.55 g/mol. Its IUPAC name is N-[(1S,3S)-3-[[5-(cyclohexylmethyl)-1,2-oxazol-3-yl]methyl]-2,2-dimethylcyclobutyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[(1S,3S)-3-[[5-(cyclohexylmethyl)-1,2-oxazol-3-yl]methyl]-2,2-dimethylcyclobutyl]cyclopentanecarboxamide
PubChem CID56774180
Molecular FormulaC23H36N2O2
Molecular Weight372.55 g/mol
Exact Mass372.28
IUPAC NameN-[(1S,3S)-3-[[5-(cyclohexylmethyl)-1,2-oxazol-3-yl]methyl]-2,2-dimethylcyclobutyl]cyclopentanecarboxamide
SMILESCC1(C)[C@H](Cc2cc(CC3CCCCC3)on2)C[C@@H]1NC(=O)C1CCCC1
InChIInChI=1S/C23H36N2O2/c1-23(2)18(14-21(23)24-22(26)17-10-6-7-11-17)13-19-15-20(27-25-19)12-16-8-4-3-5-9-16/h15-18,21H,3-14H2,1-2H3,(H,24,26)/t18-,21+/m1/s1
InChIKeyJMDDOPRJYJSLFF-NQIIRXRSSA-N
XLogP5.06
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.55
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(1S,3S)-3-[[5-(cyclohexylmethyl)-1,2-oxazol-3-yl]methyl]-2,2-dimethylcyclobutyl]cyclopentanecarboxamide 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 N-[(1S,3S)-3-[[5-(cyclohexylmethyl)-1,2-oxazol-3-yl]methyl]-2,2-dimethylcyclobutyl]cyclopentanecarboxamide?
The IUPAC name of N-[(1S,3S)-3-[[5-(cyclohexylmethyl)-1,2-oxazol-3-yl]methyl]-2,2-dimethylcyclobutyl]cyclopentanecarboxamide (CID 56774180) is N-[(1S,3S)-3-[[5-(cyclohexylmethyl)-1,2-oxazol-3-yl]methyl]-2,2-dimethylcyclobutyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[(1S,3S)-3-[[5-(cyclohexylmethyl)-1,2-oxazol-3-yl]methyl]-2,2-dimethylcyclobutyl]cyclopentanecarboxamide?
The canonical SMILES for N-[(1S,3S)-3-[[5-(cyclohexylmethyl)-1,2-oxazol-3-yl]methyl]-2,2-dimethylcyclobutyl]cyclopentanecarboxamide is CC1(C)[C@H](Cc2cc(CC3CCCCC3)on2)C[C@@H]1NC(=O)C1CCCC1.
What is the InChIKey of N-[(1S,3S)-3-[[5-(cyclohexylmethyl)-1,2-oxazol-3-yl]methyl]-2,2-dimethylcyclobutyl]cyclopentanecarboxamide?
The InChIKey is JMDDOPRJYJSLFF-NQIIRXRSSA-N. The full InChI is InChI=1S/C23H36N2O2/c1-23(2)18(14-21(23)24-22(26)17-10-6-7-11-17)13-19-15-20(27-25-19)12-16-8-4-3-5-9-16/h15-18,21H,3-14H2,1-2H3,(H,24,26)/t18-,21+/m1/s1.
What are the key properties of N-[(1S,3S)-3-[[5-(cyclohexylmethyl)-1,2-oxazol-3-yl]methyl]-2,2-dimethylcyclobutyl]cyclopentanecarboxamide?
N-[(1S,3S)-3-[[5-(cyclohexylmethyl)-1,2-oxazol-3-yl]methyl]-2,2-dimethylcyclobutyl]cyclopentanecarboxamide has a molecular weight of 372.55 g/mol, XLogP of 5.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,3S)-3-[[5-(cyclohexylmethyl)-1,2-oxazol-3-yl]methyl]-2,2-dimethylcyclobutyl]cyclopentanecarboxamide is sourced from PubChem (CID 56774180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).