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

C14H10ClFN2O2 — CID 5122625

IUPAC3-(2-chloro-6-fluorophenyl)-5-methyl-N-prop-2-ynyl-1,2-oxazole-4-carboxamide
SMILESC#CCNC(=O)c1c(-c2c(F)cccc2Cl)noc1C
InChIInChI=1S/C14H10ClFN2O2/c1-3-7-17-14(19)11-8(2)20-18-13(11)12-9(15)5-4-6-10(12)16/h1,4-6H,7H2,2H3,(H,17,19)
InChIKeyPDLUWQUGEYSOGY-UHFFFAOYSA-N
MW292.70 g/mol
LogP2.81
Rot. Bonds3

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

3-(2-chloro-6-fluorophenyl)-5-methyl-N-prop-2-ynyl-1,2-oxazole-4-carboxamide (PubChem CID 5122625) has the molecular formula C14H10ClFN2O2 and a molecular weight of 292.70 g/mol. Its IUPAC name is 3-(2-chloro-6-fluorophenyl)-5-methyl-N-prop-2-ynyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-(2-chloro-6-fluorophenyl)-5-methyl-N-prop-2-ynyl-1,2-oxazole-4-carboxamide
PubChem CID5122625
Molecular FormulaC14H10ClFN2O2
Molecular Weight292.70 g/mol
Exact Mass292.04
IUPAC Name3-(2-chloro-6-fluorophenyl)-5-methyl-N-prop-2-ynyl-1,2-oxazole-4-carboxamide
SMILESC#CCNC(=O)c1c(-c2c(F)cccc2Cl)noc1C
InChIInChI=1S/C14H10ClFN2O2/c1-3-7-17-14(19)11-8(2)20-18-13(11)12-9(15)5-4-6-10(12)16/h1,4-6H,7H2,2H3,(H,17,19)
InChIKeyPDLUWQUGEYSOGY-UHFFFAOYSA-N
XLogP2.81
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.70
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-acetamidoethyl)-3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 35052691
3-(2-chloro-6-fluorophenyl)-N-[(4-chlorophenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 986975
3-(2-chloro-6-fluorophenyl)-N-[(2-chlorophenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 9209694
3-(2-chloro-6-fluorophenyl)-N-(3-ethylpent-1-yn-3-yl)-5-methyl-1,2-oxazole-4-carboxamide
CID 4192063
3-(2-chloro-6-fluorophenyl)-N-[2-(4-hydroxyphenyl)ethyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 71890892
3-(2-chloro-6-fluorophenyl)-N-[(3-chlorophenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 9209822
N-(3-amino-2-methylpropyl)-3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 119996847
3-(2-chloro-6-fluorophenyl)-N-methoxy-5-methyl-1,2-oxazole-4-carboxamide
CID 51279290
3-(2-chloro-6-fluorophenyl)-N-[(4-fluoro-3-methylphenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 33305648
methyl 3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
CID 2775337
N-[(2-chloro-6-fluorophenyl)methyl]-3-(2,6-dimethylphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 118753306
3-(2-chloro-6-fluorophenyl)-N'-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carbohydrazide
CID 2812891

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-6-fluorophenyl)-5-methyl-N-prop-2-ynyl-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-(2-chloro-6-fluorophenyl)-5-methyl-N-prop-2-ynyl-1,2-oxazole-4-carboxamide (CID 5122625) is 3-(2-chloro-6-fluorophenyl)-5-methyl-N-prop-2-ynyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-(2-chloro-6-fluorophenyl)-5-methyl-N-prop-2-ynyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-(2-chloro-6-fluorophenyl)-5-methyl-N-prop-2-ynyl-1,2-oxazole-4-carboxamide is C#CCNC(=O)c1c(-c2c(F)cccc2Cl)noc1C.
What is the InChIKey of 3-(2-chloro-6-fluorophenyl)-5-methyl-N-prop-2-ynyl-1,2-oxazole-4-carboxamide?
The InChIKey is PDLUWQUGEYSOGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFN2O2/c1-3-7-17-14(19)11-8(2)20-18-13(11)12-9(15)5-4-6-10(12)16/h1,4-6H,7H2,2H3,(H,17,19).
What are the key properties of 3-(2-chloro-6-fluorophenyl)-5-methyl-N-prop-2-ynyl-1,2-oxazole-4-carboxamide?
3-(2-chloro-6-fluorophenyl)-5-methyl-N-prop-2-ynyl-1,2-oxazole-4-carboxamide has a molecular weight of 292.70 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-6-fluorophenyl)-5-methyl-N-prop-2-ynyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 5122625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).