3-(2-chloro-6-fluorophenyl)-N,5-dimethyl-N-(2-pyridin-2-ylethyl)-1,2-oxazole-4-carboxamide

C19H17ClFN3O2 — CID 2814678

IUPAC3-(2-chloro-6-fluorophenyl)-N,5-dimethyl-N-(2-pyridin-2-ylethyl)-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2c(F)cccc2Cl)c1C(=O)N(C)CCc1ccccn1
InChIInChI=1S/C19H17ClFN3O2/c1-12-16(18(23-26-12)17-14(20)7-5-8-15(17)21)19(25)24(2)11-9-13-6-3-4-10-22-13/h3-8,10H,9,11H2,1-2H3
InChIKeyAAALJVGKDXJHPX-UHFFFAOYSA-N
MW373.81 g/mol
LogP4.15
Rot. Bonds5

About 3-(2-chloro-6-fluorophenyl)-N,5-dimethyl-N-(2-pyridin-2-ylethyl)-1,2-oxazole-4-carboxamide

3-(2-chloro-6-fluorophenyl)-N,5-dimethyl-N-(2-pyridin-2-ylethyl)-1,2-oxazole-4-carboxamide (PubChem CID 2814678) has the molecular formula C19H17ClFN3O2 and a molecular weight of 373.81 g/mol. Its IUPAC name is 3-(2-chloro-6-fluorophenyl)-N,5-dimethyl-N-(2-pyridin-2-ylethyl)-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-(2-chloro-6-fluorophenyl)-N,5-dimethyl-N-(2-pyridin-2-ylethyl)-1,2-oxazole-4-carboxamide
PubChem CID2814678
Molecular FormulaC19H17ClFN3O2
Molecular Weight373.81 g/mol
Exact Mass373.10
IUPAC Name3-(2-chloro-6-fluorophenyl)-N,5-dimethyl-N-(2-pyridin-2-ylethyl)-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2c(F)cccc2Cl)c1C(=O)N(C)CCc1ccccn1
InChIInChI=1S/C19H17ClFN3O2/c1-12-16(18(23-26-12)17-14(20)7-5-8-15(17)21)19(25)24(2)11-9-13-6-3-4-10-22-13/h3-8,10H,9,11H2,1-2H3
InChIKeyAAALJVGKDXJHPX-UHFFFAOYSA-N
XLogP4.15
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.81
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-6-fluorophenyl)-N,5-dimethyl-N-(2-pyridin-2-ylethyl)-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-(2-chloro-6-fluorophenyl)-N,5-dimethyl-N-(2-pyridin-2-ylethyl)-1,2-oxazole-4-carboxamide (CID 2814678) is 3-(2-chloro-6-fluorophenyl)-N,5-dimethyl-N-(2-pyridin-2-ylethyl)-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-(2-chloro-6-fluorophenyl)-N,5-dimethyl-N-(2-pyridin-2-ylethyl)-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-(2-chloro-6-fluorophenyl)-N,5-dimethyl-N-(2-pyridin-2-ylethyl)-1,2-oxazole-4-carboxamide is Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N(C)CCc1ccccn1.
What is the InChIKey of 3-(2-chloro-6-fluorophenyl)-N,5-dimethyl-N-(2-pyridin-2-ylethyl)-1,2-oxazole-4-carboxamide?
The InChIKey is AAALJVGKDXJHPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClFN3O2/c1-12-16(18(23-26-12)17-14(20)7-5-8-15(17)21)19(25)24(2)11-9-13-6-3-4-10-22-13/h3-8,10H,9,11H2,1-2H3.
What are the key properties of 3-(2-chloro-6-fluorophenyl)-N,5-dimethyl-N-(2-pyridin-2-ylethyl)-1,2-oxazole-4-carboxamide?
3-(2-chloro-6-fluorophenyl)-N,5-dimethyl-N-(2-pyridin-2-ylethyl)-1,2-oxazole-4-carboxamide has a molecular weight of 373.81 g/mol, XLogP of 4.15, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-6-fluorophenyl)-N,5-dimethyl-N-(2-pyridin-2-ylethyl)-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 2814678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).