1-(cyclopropylamino)-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]cyclohexane-1-carboxamide

C14H21N3O2S — CID 106925091

IUPAC1-(cyclopropylamino)-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]cyclohexane-1-carboxamide
SMILESCc1coc(SC2CCCC(NC3CC3)(C(N)=O)C2)n1
InChIInChI=1S/C14H21N3O2S/c1-9-8-19-13(16-9)20-11-3-2-6-14(7-11,12(15)18)17-10-4-5-10/h8,10-11,17H,2-7H2,1H3,(H2,15,18)
InChIKeyNORLXKPWALGSOB-UHFFFAOYSA-N
MW295.41 g/mol
LogP1.99
Rot. Bonds5

About 1-(cyclopropylamino)-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]cyclohexane-1-carboxamide

1-(cyclopropylamino)-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]cyclohexane-1-carboxamide (PubChem CID 106925091) has the molecular formula C14H21N3O2S and a molecular weight of 295.41 g/mol. Its IUPAC name is 1-(cyclopropylamino)-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(cyclopropylamino)-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]cyclohexane-1-carboxamide
PubChem CID106925091
Molecular FormulaC14H21N3O2S
Molecular Weight295.41 g/mol
Exact Mass295.14
IUPAC Name1-(cyclopropylamino)-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]cyclohexane-1-carboxamide
SMILESCc1coc(SC2CCCC(NC3CC3)(C(N)=O)C2)n1
InChIInChI=1S/C14H21N3O2S/c1-9-8-19-13(16-9)20-11-3-2-6-14(7-11,12(15)18)17-10-4-5-10/h8,10-11,17H,2-7H2,1H3,(H2,15,18)
InChIKeyNORLXKPWALGSOB-UHFFFAOYSA-N
XLogP1.99
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(cyclopropylamino)-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]cyclohexane-1-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 1-(cyclopropylamino)-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]cyclohexane-1-carboxamide?
The IUPAC name of 1-(cyclopropylamino)-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]cyclohexane-1-carboxamide (CID 106925091) is 1-(cyclopropylamino)-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-(cyclopropylamino)-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-(cyclopropylamino)-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]cyclohexane-1-carboxamide is Cc1coc(SC2CCCC(NC3CC3)(C(N)=O)C2)n1.
What is the InChIKey of 1-(cyclopropylamino)-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]cyclohexane-1-carboxamide?
The InChIKey is NORLXKPWALGSOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2S/c1-9-8-19-13(16-9)20-11-3-2-6-14(7-11,12(15)18)17-10-4-5-10/h8,10-11,17H,2-7H2,1H3,(H2,15,18).
What are the key properties of 1-(cyclopropylamino)-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]cyclohexane-1-carboxamide?
1-(cyclopropylamino)-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]cyclohexane-1-carboxamide has a molecular weight of 295.41 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylamino)-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 106925091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).