3-(2-chloro-6-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide

C19H16ClFN2O3 — CID 4264801

IUPAC3-(2-chloro-6-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide
SMILESCOc1ccc(CNC(=O)c2c(-c3c(F)cccc3Cl)noc2C)cc1
InChIInChI=1S/C19H16ClFN2O3/c1-11-16(18(23-26-11)17-14(20)4-3-5-15(17)21)19(24)22-10-12-6-8-13(25-2)9-7-12/h3-9H,10H2,1-2H3,(H,22,24)
InChIKeyIUGPLYFBMMZMBN-UHFFFAOYSA-N
MW374.80 g/mol
LogP4.38
Rot. Bonds5

About 3-(2-chloro-6-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide

3-(2-chloro-6-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 4264801) has the molecular formula C19H16ClFN2O3 and a molecular weight of 374.80 g/mol. Its IUPAC name is 3-(2-chloro-6-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-(2-chloro-6-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID4264801
Molecular FormulaC19H16ClFN2O3
Molecular Weight374.80 g/mol
Exact Mass374.08
IUPAC Name3-(2-chloro-6-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide
SMILESCOc1ccc(CNC(=O)c2c(-c3c(F)cccc3Cl)noc2C)cc1
InChIInChI=1S/C19H16ClFN2O3/c1-11-16(18(23-26-11)17-14(20)4-3-5-15(17)21)19(24)22-10-12-6-8-13(25-2)9-7-12/h3-9H,10H2,1-2H3,(H,22,24)
InChIKeyIUGPLYFBMMZMBN-UHFFFAOYSA-N
XLogP4.38
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.80
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-6-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-(2-chloro-6-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide (CID 4264801) is 3-(2-chloro-6-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-(2-chloro-6-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-(2-chloro-6-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide is COc1ccc(CNC(=O)c2c(-c3c(F)cccc3Cl)noc2C)cc1.
What is the InChIKey of 3-(2-chloro-6-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is IUGPLYFBMMZMBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClFN2O3/c1-11-16(18(23-26-11)17-14(20)4-3-5-15(17)21)19(24)22-10-12-6-8-13(25-2)9-7-12/h3-9H,10H2,1-2H3,(H,22,24).
What are the key properties of 3-(2-chloro-6-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide?
3-(2-chloro-6-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 374.80 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-6-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 4264801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).