cis-(1S,3R)-3-[[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]cyclopentane-1-carboxylic acid

C17H16ClFN2O4 — CID 120675824

IUPACcis-(1S,3R)-3-[[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]cyclopentane-1-carboxylic acid
SMILESCc1onc(-c2c(F)cccc2Cl)c1C(=O)N[C@@H]1CC[C@H](C(=O)O)C1
InChIInChI=1S/C17H16ClFN2O4/c1-8-13(16(22)20-10-6-5-9(7-10)17(23)24)15(21-25-8)14-11(18)3-2-4-12(14)19/h2-4,9-10H,5-7H2,1H3,(H,20,22)(H,23,24)/t9-,10+/m0/s1
InChIKeyNTOJSTBERHMOKH-VHSXEESVSA-N
MW366.78 g/mol
LogP3.43
Rot. Bonds4

About cis-(1S,3R)-3-[[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]cyclopentane-1-carboxylic acid

cis-(1S,3R)-3-[[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 120675824) has the molecular formula C17H16ClFN2O4 and a molecular weight of 366.78 g/mol. Its IUPAC name is cis-(1S,3R)-3-[[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1S,3R)-3-[[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]cyclopentane-1-carboxylic acid
PubChem CID120675824
Molecular FormulaC17H16ClFN2O4
Molecular Weight366.78 g/mol
Exact Mass366.08
IUPAC Namecis-(1S,3R)-3-[[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]cyclopentane-1-carboxylic acid
SMILESCc1onc(-c2c(F)cccc2Cl)c1C(=O)N[C@@H]1CC[C@H](C(=O)O)C1
InChIInChI=1S/C17H16ClFN2O4/c1-8-13(16(22)20-10-6-5-9(7-10)17(23)24)15(21-25-8)14-11(18)3-2-4-12(14)19/h2-4,9-10H,5-7H2,1H3,(H,20,22)(H,23,24)/t9-,10+/m0/s1
InChIKeyNTOJSTBERHMOKH-VHSXEESVSA-N
XLogP3.43
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.78
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze cis-(1S,3R)-3-[[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]cyclopentane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-chloro-6-fluorophenyl)-N-(1,1-dioxothiolan-3-yl)-5-methyl-1,2-oxazole-4-carboxamide
CID 3508122
methyl 2-[(1R,3S)-3-[[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]cyclohexyl]-2-phenylacetate
CID 91259639
3-(2-chloro-6-fluorophenyl)-5-methyl-N-(2-methylpiperidin-3-yl)-1,2-oxazole-4-carboxamide
CID 120575010
1-[[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-3-cyclopentylthiourea
CID 9146997
methyl 3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
CID 2775337
3-(2-chloro-6-fluorophenyl)-N'-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carbohydrazide
CID 2812891
N-(2-acetamidoethyl)-3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 35052691
3-(2-chloro-6-fluorophenyl)-N-methoxy-5-methyl-1,2-oxazole-4-carboxamide
CID 51279290
3-[(2-fluoro-6-hydroxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 107013675
3-(2-chloro-6-fluorophenyl)-5-methyl-N-prop-2-ynyl-1,2-oxazole-4-carboxamide
CID 5122625
3-(2-chloro-6-fluorophenyl)-5-methyl-N'-[4-(trifluoromethyl)benzoyl]-1,2-oxazole-4-carbohydrazide
CID 2814674
cis-(1S,3R)-3-[(2-fluoro-6-methoxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 120675723

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-3-[[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1S,3R)-3-[[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]cyclopentane-1-carboxylic acid (CID 120675824) is cis-(1S,3R)-3-[[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1S,3R)-3-[[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1S,3R)-3-[[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]cyclopentane-1-carboxylic acid is Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N[C@@H]1CC[C@H](C(=O)O)C1.
What is the InChIKey of cis-(1S,3R)-3-[[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is NTOJSTBERHMOKH-VHSXEESVSA-N. The full InChI is InChI=1S/C17H16ClFN2O4/c1-8-13(16(22)20-10-6-5-9(7-10)17(23)24)15(21-25-8)14-11(18)3-2-4-12(14)19/h2-4,9-10H,5-7H2,1H3,(H,20,22)(H,23,24)/t9-,10+/m0/s1.
What are the key properties of cis-(1S,3R)-3-[[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]cyclopentane-1-carboxylic acid?
cis-(1S,3R)-3-[[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 366.78 g/mol, XLogP of 3.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-3-[[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 120675824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).