3-(2-chloro-6-fluorophenyl)-5-methyl-N-(2-methylpiperidin-3-yl)-1,2-oxazole-4-carboxamide

C17H19ClFN3O2 — CID 120575010

IUPAC3-(2-chloro-6-fluorophenyl)-5-methyl-N-(2-methylpiperidin-3-yl)-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2c(F)cccc2Cl)c1C(=O)NC1CCCNC1C
InChIInChI=1S/C17H19ClFN3O2/c1-9-13(7-4-8-20-9)21-17(23)14-10(2)24-22-16(14)15-11(18)5-3-6-12(15)19/h3,5-6,9,13,20H,4,7-8H2,1-2H3,(H,21,23)
InChIKeyIZTOGIRJKFOTNQ-UHFFFAOYSA-N
MW351.81 g/mol
LogP3.31
Rot. Bonds3

About 3-(2-chloro-6-fluorophenyl)-5-methyl-N-(2-methylpiperidin-3-yl)-1,2-oxazole-4-carboxamide

3-(2-chloro-6-fluorophenyl)-5-methyl-N-(2-methylpiperidin-3-yl)-1,2-oxazole-4-carboxamide (PubChem CID 120575010) has the molecular formula C17H19ClFN3O2 and a molecular weight of 351.81 g/mol. Its IUPAC name is 3-(2-chloro-6-fluorophenyl)-5-methyl-N-(2-methylpiperidin-3-yl)-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-(2-chloro-6-fluorophenyl)-5-methyl-N-(2-methylpiperidin-3-yl)-1,2-oxazole-4-carboxamide
PubChem CID120575010
Molecular FormulaC17H19ClFN3O2
Molecular Weight351.81 g/mol
Exact Mass351.11
IUPAC Name3-(2-chloro-6-fluorophenyl)-5-methyl-N-(2-methylpiperidin-3-yl)-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2c(F)cccc2Cl)c1C(=O)NC1CCCNC1C
InChIInChI=1S/C17H19ClFN3O2/c1-9-13(7-4-8-20-9)21-17(23)14-10(2)24-22-16(14)15-11(18)5-3-6-12(15)19/h3,5-6,9,13,20H,4,7-8H2,1-2H3,(H,21,23)
InChIKeyIZTOGIRJKFOTNQ-UHFFFAOYSA-N
XLogP3.31
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.81
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(2-chloro-6-fluorophenyl)-5-methyl-N-(2-methylpiperidin-3-yl)-1,2-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

Related Compounds

cis-(1S,3R)-3-[[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120675824
3-(2-chloro-6-fluorophenyl)-N-(1,1-dioxothiolan-3-yl)-5-methyl-1,2-oxazole-4-carboxamide
CID 3508122
3-chloro-2-methyl-N-(2-methylpiperidin-3-yl)benzamide
CID 107098369
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
3-(2-chloro-6-fluorophenyl)-N-methoxy-5-methyl-1,2-oxazole-4-carboxamide
CID 51279290
3-(2-chloro-6-fluorophenyl)-N'-[2-(4-fluorophenyl)acetyl]-5-methyl-1,2-oxazole-4-carbohydrazide
CID 9161472
N-(2-acetamidoethyl)-3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 35052691
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
2,4-dichloro-5-fluoro-N-(2-methylpiperidin-3-yl)benzamide
CID 120575501

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-6-fluorophenyl)-5-methyl-N-(2-methylpiperidin-3-yl)-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-(2-chloro-6-fluorophenyl)-5-methyl-N-(2-methylpiperidin-3-yl)-1,2-oxazole-4-carboxamide (CID 120575010) is 3-(2-chloro-6-fluorophenyl)-5-methyl-N-(2-methylpiperidin-3-yl)-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-(2-chloro-6-fluorophenyl)-5-methyl-N-(2-methylpiperidin-3-yl)-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-(2-chloro-6-fluorophenyl)-5-methyl-N-(2-methylpiperidin-3-yl)-1,2-oxazole-4-carboxamide is Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NC1CCCNC1C.
What is the InChIKey of 3-(2-chloro-6-fluorophenyl)-5-methyl-N-(2-methylpiperidin-3-yl)-1,2-oxazole-4-carboxamide?
The InChIKey is IZTOGIRJKFOTNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClFN3O2/c1-9-13(7-4-8-20-9)21-17(23)14-10(2)24-22-16(14)15-11(18)5-3-6-12(15)19/h3,5-6,9,13,20H,4,7-8H2,1-2H3,(H,21,23).
What are the key properties of 3-(2-chloro-6-fluorophenyl)-5-methyl-N-(2-methylpiperidin-3-yl)-1,2-oxazole-4-carboxamide?
3-(2-chloro-6-fluorophenyl)-5-methyl-N-(2-methylpiperidin-3-yl)-1,2-oxazole-4-carboxamide has a molecular weight of 351.81 g/mol, XLogP of 3.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-6-fluorophenyl)-5-methyl-N-(2-methylpiperidin-3-yl)-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 120575010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).