2-(cyclohexylmethylamino)-N-[(1R)-1-(3,5-difluoro-4-methylphenyl)ethyl]-1,3-oxazole-4-carboxamide

C20H25F2N3O2 — CID 58319241

IUPAC2-(cyclohexylmethylamino)-N-[(1R)-1-(3,5-difluoro-4-methylphenyl)ethyl]-1,3-oxazole-4-carboxamide
SMILESCc1c(F)cc([C@@H](C)NC(=O)c2coc(NCC3CCCCC3)n2)cc1F
InChIInChI=1S/C20H25F2N3O2/c1-12-16(21)8-15(9-17(12)22)13(2)24-19(26)18-11-27-20(25-18)23-10-14-6-4-3-5-7-14/h8-9,11,13-14H,3-7,10H2,1-2H3,(H,23,25)(H,24,26)/t13-/m1/s1
InChIKeyJHMDMWUEFSICBZ-CYBMUJFWSA-N
MW377.44 g/mol
LogP4.74
Rot. Bonds6

About 2-(cyclohexylmethylamino)-N-[(1R)-1-(3,5-difluoro-4-methylphenyl)ethyl]-1,3-oxazole-4-carboxamide

2-(cyclohexylmethylamino)-N-[(1R)-1-(3,5-difluoro-4-methylphenyl)ethyl]-1,3-oxazole-4-carboxamide (PubChem CID 58319241) has the molecular formula C20H25F2N3O2 and a molecular weight of 377.44 g/mol. Its IUPAC name is 2-(cyclohexylmethylamino)-N-[(1R)-1-(3,5-difluoro-4-methylphenyl)ethyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(cyclohexylmethylamino)-N-[(1R)-1-(3,5-difluoro-4-methylphenyl)ethyl]-1,3-oxazole-4-carboxamide
PubChem CID58319241
Molecular FormulaC20H25F2N3O2
Molecular Weight377.44 g/mol
Exact Mass377.19
IUPAC Name2-(cyclohexylmethylamino)-N-[(1R)-1-(3,5-difluoro-4-methylphenyl)ethyl]-1,3-oxazole-4-carboxamide
SMILESCc1c(F)cc([C@@H](C)NC(=O)c2coc(NCC3CCCCC3)n2)cc1F
InChIInChI=1S/C20H25F2N3O2/c1-12-16(21)8-15(9-17(12)22)13(2)24-19(26)18-11-27-20(25-18)23-10-14-6-4-3-5-7-14/h8-9,11,13-14H,3-7,10H2,1-2H3,(H,23,25)(H,24,26)/t13-/m1/s1
InChIKeyJHMDMWUEFSICBZ-CYBMUJFWSA-N
XLogP4.74
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(cyclohexylmethylamino)-N-[(1R)-1-(3,5-difluoro-4-methylphenyl)ethyl]-1,3-oxazole-4-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-(cyclohexylmethylamino)-N-[(1R)-1-(3,5-difluoro-4-methylphenyl)ethyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(cyclohexylmethylamino)-N-[(1R)-1-(3,5-difluoro-4-methylphenyl)ethyl]-1,3-oxazole-4-carboxamide (CID 58319241) is 2-(cyclohexylmethylamino)-N-[(1R)-1-(3,5-difluoro-4-methylphenyl)ethyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(cyclohexylmethylamino)-N-[(1R)-1-(3,5-difluoro-4-methylphenyl)ethyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(cyclohexylmethylamino)-N-[(1R)-1-(3,5-difluoro-4-methylphenyl)ethyl]-1,3-oxazole-4-carboxamide is Cc1c(F)cc([C@@H](C)NC(=O)c2coc(NCC3CCCCC3)n2)cc1F.
What is the InChIKey of 2-(cyclohexylmethylamino)-N-[(1R)-1-(3,5-difluoro-4-methylphenyl)ethyl]-1,3-oxazole-4-carboxamide?
The InChIKey is JHMDMWUEFSICBZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H25F2N3O2/c1-12-16(21)8-15(9-17(12)22)13(2)24-19(26)18-11-27-20(25-18)23-10-14-6-4-3-5-7-14/h8-9,11,13-14H,3-7,10H2,1-2H3,(H,23,25)(H,24,26)/t13-/m1/s1.
What are the key properties of 2-(cyclohexylmethylamino)-N-[(1R)-1-(3,5-difluoro-4-methylphenyl)ethyl]-1,3-oxazole-4-carboxamide?
2-(cyclohexylmethylamino)-N-[(1R)-1-(3,5-difluoro-4-methylphenyl)ethyl]-1,3-oxazole-4-carboxamide has a molecular weight of 377.44 g/mol, XLogP of 4.74, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylmethylamino)-N-[(1R)-1-(3,5-difluoro-4-methylphenyl)ethyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 58319241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).