2-cyclohexyl-N-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N-methyl-1,3-benzoxazole-6-carboxamide

C22H27N3O2S — CID 42415306

IUPAC2-cyclohexyl-N-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N-methyl-1,3-benzoxazole-6-carboxamide
SMILESCc1nc([C@H](C)N(C)C(=O)c2ccc3nc(C4CCCCC4)oc3c2)c(C)s1
InChIInChI=1S/C22H27N3O2S/c1-13(20-14(2)28-15(3)23-20)25(4)22(26)17-10-11-18-19(12-17)27-21(24-18)16-8-6-5-7-9-16/h10-13,16H,5-9H2,1-4H3/t13-/m0/s1
InChIKeyBFUYIHJBFUQXJJ-ZDUSSCGKSA-N
MW397.54 g/mol
LogP5.78
Rot. Bonds4

About 2-cyclohexyl-N-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N-methyl-1,3-benzoxazole-6-carboxamide

2-cyclohexyl-N-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N-methyl-1,3-benzoxazole-6-carboxamide (PubChem CID 42415306) has the molecular formula C22H27N3O2S and a molecular weight of 397.54 g/mol. Its IUPAC name is 2-cyclohexyl-N-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N-methyl-1,3-benzoxazole-6-carboxamide.

Molecular Properties

Compound Name2-cyclohexyl-N-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N-methyl-1,3-benzoxazole-6-carboxamide
PubChem CID42415306
Molecular FormulaC22H27N3O2S
Molecular Weight397.54 g/mol
Exact Mass397.18
IUPAC Name2-cyclohexyl-N-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N-methyl-1,3-benzoxazole-6-carboxamide
SMILESCc1nc([C@H](C)N(C)C(=O)c2ccc3nc(C4CCCCC4)oc3c2)c(C)s1
InChIInChI=1S/C22H27N3O2S/c1-13(20-14(2)28-15(3)23-20)25(4)22(26)17-10-11-18-19(12-17)27-21(24-18)16-8-6-5-7-9-16/h10-13,16H,5-9H2,1-4H3/t13-/m0/s1
InChIKeyBFUYIHJBFUQXJJ-ZDUSSCGKSA-N
XLogP5.78
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.54
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-cyclohexyl-N-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N-methyl-1,3-benzoxazole-6-carboxamide 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 2-cyclohexyl-N-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N-methyl-1,3-benzoxazole-6-carboxamide?
The IUPAC name of 2-cyclohexyl-N-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N-methyl-1,3-benzoxazole-6-carboxamide (CID 42415306) is 2-cyclohexyl-N-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N-methyl-1,3-benzoxazole-6-carboxamide.
What is the SMILES notation for 2-cyclohexyl-N-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N-methyl-1,3-benzoxazole-6-carboxamide?
The canonical SMILES for 2-cyclohexyl-N-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N-methyl-1,3-benzoxazole-6-carboxamide is Cc1nc([C@H](C)N(C)C(=O)c2ccc3nc(C4CCCCC4)oc3c2)c(C)s1.
What is the InChIKey of 2-cyclohexyl-N-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N-methyl-1,3-benzoxazole-6-carboxamide?
The InChIKey is BFUYIHJBFUQXJJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C22H27N3O2S/c1-13(20-14(2)28-15(3)23-20)25(4)22(26)17-10-11-18-19(12-17)27-21(24-18)16-8-6-5-7-9-16/h10-13,16H,5-9H2,1-4H3/t13-/m0/s1.
What are the key properties of 2-cyclohexyl-N-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N-methyl-1,3-benzoxazole-6-carboxamide?
2-cyclohexyl-N-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N-methyl-1,3-benzoxazole-6-carboxamide has a molecular weight of 397.54 g/mol, XLogP of 5.78, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N-methyl-1,3-benzoxazole-6-carboxamide is sourced from PubChem (CID 42415306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).