2-[[[(1S)-3,3-difluorocyclohexanecarbonyl]amino]methyl]-1,3-oxazole-4-carboxamide

C12H15F2N3O3 — CID 164631110

IUPAC2-[[[(1S)-3,3-difluorocyclohexanecarbonyl]amino]methyl]-1,3-oxazole-4-carboxamide
SMILESNC(=O)c1coc(CNC(=O)[C@H]2CCCC(F)(F)C2)n1
InChIInChI=1S/C12H15F2N3O3/c13-12(14)3-1-2-7(4-12)11(19)16-5-9-17-8(6-20-9)10(15)18/h6-7H,1-5H2,(H2,15,18)(H,16,19)/t7-/m0/s1
InChIKeySUPAMUYGVLOWPS-ZETCQYMHSA-N
MW287.27 g/mol
LogP1.22
Rot. Bonds4

About 2-[[[(1S)-3,3-difluorocyclohexanecarbonyl]amino]methyl]-1,3-oxazole-4-carboxamide

2-[[[(1S)-3,3-difluorocyclohexanecarbonyl]amino]methyl]-1,3-oxazole-4-carboxamide (PubChem CID 164631110) has the molecular formula C12H15F2N3O3 and a molecular weight of 287.27 g/mol. Its IUPAC name is 2-[[[(1S)-3,3-difluorocyclohexanecarbonyl]amino]methyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-[[[(1S)-3,3-difluorocyclohexanecarbonyl]amino]methyl]-1,3-oxazole-4-carboxamide
PubChem CID164631110
Molecular FormulaC12H15F2N3O3
Molecular Weight287.27 g/mol
Exact Mass287.11
IUPAC Name2-[[[(1S)-3,3-difluorocyclohexanecarbonyl]amino]methyl]-1,3-oxazole-4-carboxamide
SMILESNC(=O)c1coc(CNC(=O)[C@H]2CCCC(F)(F)C2)n1
InChIInChI=1S/C12H15F2N3O3/c13-12(14)3-1-2-7(4-12)11(19)16-5-9-17-8(6-20-9)10(15)18/h6-7H,1-5H2,(H2,15,18)(H,16,19)/t7-/m0/s1
InChIKeySUPAMUYGVLOWPS-ZETCQYMHSA-N
XLogP1.22
TPSA98.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.27
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[[(1S)-3,3-difluorocyclohexanecarbonyl]amino]methyl]-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-[[[(1S)-3,3-difluorocyclohexanecarbonyl]amino]methyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-[[[(1S)-3,3-difluorocyclohexanecarbonyl]amino]methyl]-1,3-oxazole-4-carboxamide (CID 164631110) is 2-[[[(1S)-3,3-difluorocyclohexanecarbonyl]amino]methyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-[[[(1S)-3,3-difluorocyclohexanecarbonyl]amino]methyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-[[[(1S)-3,3-difluorocyclohexanecarbonyl]amino]methyl]-1,3-oxazole-4-carboxamide is NC(=O)c1coc(CNC(=O)[C@H]2CCCC(F)(F)C2)n1.
What is the InChIKey of 2-[[[(1S)-3,3-difluorocyclohexanecarbonyl]amino]methyl]-1,3-oxazole-4-carboxamide?
The InChIKey is SUPAMUYGVLOWPS-ZETCQYMHSA-N. The full InChI is InChI=1S/C12H15F2N3O3/c13-12(14)3-1-2-7(4-12)11(19)16-5-9-17-8(6-20-9)10(15)18/h6-7H,1-5H2,(H2,15,18)(H,16,19)/t7-/m0/s1.
What are the key properties of 2-[[[(1S)-3,3-difluorocyclohexanecarbonyl]amino]methyl]-1,3-oxazole-4-carboxamide?
2-[[[(1S)-3,3-difluorocyclohexanecarbonyl]amino]methyl]-1,3-oxazole-4-carboxamide has a molecular weight of 287.27 g/mol, XLogP of 1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[(1S)-3,3-difluorocyclohexanecarbonyl]amino]methyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 164631110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).