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

C19H16F2N2O3 — CID 50805633

IUPAC3-(2,4-difluorophenyl)-N-[(2-methoxyphenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide
SMILESCOc1ccccc1CNC(=O)c1c(-c2ccc(F)cc2F)noc1C
InChIInChI=1S/C19H16F2N2O3/c1-11-17(18(23-26-11)14-8-7-13(20)9-15(14)21)19(24)22-10-12-5-3-4-6-16(12)25-2/h3-9H,10H2,1-2H3,(H,22,24)
InChIKeyNFJNTXCYPQKKCP-UHFFFAOYSA-N
MW358.34 g/mol
LogP3.87
Rot. Bonds5

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

3-(2,4-difluorophenyl)-N-[(2-methoxyphenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 50805633) has the molecular formula C19H16F2N2O3 and a molecular weight of 358.34 g/mol. Its IUPAC name is 3-(2,4-difluorophenyl)-N-[(2-methoxyphenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-(2,4-difluorophenyl)-N-[(2-methoxyphenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID50805633
Molecular FormulaC19H16F2N2O3
Molecular Weight358.34 g/mol
Exact Mass358.11
IUPAC Name3-(2,4-difluorophenyl)-N-[(2-methoxyphenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide
SMILESCOc1ccccc1CNC(=O)c1c(-c2ccc(F)cc2F)noc1C
InChIInChI=1S/C19H16F2N2O3/c1-11-17(18(23-26-11)14-8-7-13(20)9-15(14)21)19(24)22-10-12-5-3-4-6-16(12)25-2/h3-9H,10H2,1-2H3,(H,22,24)
InChIKeyNFJNTXCYPQKKCP-UHFFFAOYSA-N
XLogP3.87
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.34
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(furan-2-yl)-N-[(2-methoxyphenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 110682416
3-(3-bromophenyl)-N-[(2-methoxyphenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 50805427
3-(5-bromothiophen-2-yl)-N-[(2-methoxyphenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 53052765
3-(2-chlorophenyl)-N-[(2,4-dimethoxyphenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 50805759
3-(2-chloro-6-fluorophenyl)-N-[(2,4-dimethoxyphenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 46590142
3-(2-fluorophenyl)-N-(2-methoxyethyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 50805657
3-(2-chloro-6-fluorophenyl)-N-[(2-chlorophenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 9209694
5-fluoro-2-methoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 31069159
ethyl 3-[[3-(2,4-difluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]benzoate
CID 50805811
2-(2,4-difluoroanilino)-N-[(2-methoxyphenyl)methyl]pyrimidine-5-carboxamide
CID 109257864
N-[(5-fluoro-2-methoxyphenyl)methyl]-2-(2-methoxyphenyl)acetamide
CID 110780208
5-chloro-2-fluoro-N-[(2-methoxyphenyl)methyl]benzamide
CID 26586354

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-difluorophenyl)-N-[(2-methoxyphenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-(2,4-difluorophenyl)-N-[(2-methoxyphenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide (CID 50805633) is 3-(2,4-difluorophenyl)-N-[(2-methoxyphenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-(2,4-difluorophenyl)-N-[(2-methoxyphenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-(2,4-difluorophenyl)-N-[(2-methoxyphenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide is COc1ccccc1CNC(=O)c1c(-c2ccc(F)cc2F)noc1C.
What is the InChIKey of 3-(2,4-difluorophenyl)-N-[(2-methoxyphenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is NFJNTXCYPQKKCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N2O3/c1-11-17(18(23-26-11)14-8-7-13(20)9-15(14)21)19(24)22-10-12-5-3-4-6-16(12)25-2/h3-9H,10H2,1-2H3,(H,22,24).
What are the key properties of 3-(2,4-difluorophenyl)-N-[(2-methoxyphenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide?
3-(2,4-difluorophenyl)-N-[(2-methoxyphenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 358.34 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-difluorophenyl)-N-[(2-methoxyphenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 50805633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).