5-(2-chlorophenyl)-N-[2-(4-fluorophenyl)ethyl]-3-methyl-1,2-oxazole-4-carboxamide

C19H16ClFN2O2 — CID 46097141

IUPAC5-(2-chlorophenyl)-N-[2-(4-fluorophenyl)ethyl]-3-methyl-1,2-oxazole-4-carboxamide
SMILESCc1noc(-c2ccccc2Cl)c1C(=O)NCCc1ccc(F)cc1
InChIInChI=1S/C19H16ClFN2O2/c1-12-17(18(25-23-12)15-4-2-3-5-16(15)20)19(24)22-11-10-13-6-8-14(21)9-7-13/h2-9H,10-11H2,1H3,(H,22,24)
InChIKeyIOJAWBYOKRBLRL-UHFFFAOYSA-N
MW358.80 g/mol
LogP4.42
Rot. Bonds5

About 5-(2-chlorophenyl)-N-[2-(4-fluorophenyl)ethyl]-3-methyl-1,2-oxazole-4-carboxamide

5-(2-chlorophenyl)-N-[2-(4-fluorophenyl)ethyl]-3-methyl-1,2-oxazole-4-carboxamide (PubChem CID 46097141) has the molecular formula C19H16ClFN2O2 and a molecular weight of 358.80 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-N-[2-(4-fluorophenyl)ethyl]-3-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-(2-chlorophenyl)-N-[2-(4-fluorophenyl)ethyl]-3-methyl-1,2-oxazole-4-carboxamide
PubChem CID46097141
Molecular FormulaC19H16ClFN2O2
Molecular Weight358.80 g/mol
Exact Mass358.09
IUPAC Name5-(2-chlorophenyl)-N-[2-(4-fluorophenyl)ethyl]-3-methyl-1,2-oxazole-4-carboxamide
SMILESCc1noc(-c2ccccc2Cl)c1C(=O)NCCc1ccc(F)cc1
InChIInChI=1S/C19H16ClFN2O2/c1-12-17(18(25-23-12)15-4-2-3-5-16(15)20)19(24)22-11-10-13-6-8-14(21)9-7-13/h2-9H,10-11H2,1H3,(H,22,24)
InChIKeyIOJAWBYOKRBLRL-UHFFFAOYSA-N
XLogP4.42
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.80
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-chlorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]-3-methyl-1,2-oxazole-4-carboxamide
CID 92760842
5-(2-methoxyphenyl)-3-methyl-N-(2-pyridin-4-ylethyl)-1,2-oxazole-4-carboxamide
CID 46097081
2,6-dichloro-N-[2-(4-fluorophenyl)ethyl]benzamide
CID 1122033
5-(2-chlorophenyl)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-3-methyl-1,2-oxazole-4-carboxamide
CID 46097174
5-(2-chlorophenyl)-N-[2-(4-fluorophenyl)ethyl]furan-2-carboxamide
CID 9080736
5-(2-chlorophenyl)-3-methyl-N-(3-morpholin-4-ylpropyl)-1,2-oxazole-4-carboxamide
CID 46093851
5-(2-chlorophenyl)-3-methyl-N-[(5-methylpyrazin-2-yl)methyl]-1,2-oxazole-4-carboxamide
CID 46097190
N-[2-(4-fluorophenyl)ethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 831462
N-[(2-chlorophenyl)methyl]-5-(2-methoxyphenyl)-3-methyl-1,2-oxazole-4-carboxamide
CID 46096874
3-(2-chlorophenyl)-5-methyl-N-[2-(4-morpholin-4-ylphenyl)ethyl]-1,2-oxazole-4-carboxamide
CID 16889576
ethyl 5-(2-chlorophenyl)-3-methyl-1,2-oxazole-4-carboxylate
CID 141465693
N-[2-(4-chlorophenyl)ethyl]-3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 35702435

Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-N-[2-(4-fluorophenyl)ethyl]-3-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of 5-(2-chlorophenyl)-N-[2-(4-fluorophenyl)ethyl]-3-methyl-1,2-oxazole-4-carboxamide (CID 46097141) is 5-(2-chlorophenyl)-N-[2-(4-fluorophenyl)ethyl]-3-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 5-(2-chlorophenyl)-N-[2-(4-fluorophenyl)ethyl]-3-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 5-(2-chlorophenyl)-N-[2-(4-fluorophenyl)ethyl]-3-methyl-1,2-oxazole-4-carboxamide is Cc1noc(-c2ccccc2Cl)c1C(=O)NCCc1ccc(F)cc1.
What is the InChIKey of 5-(2-chlorophenyl)-N-[2-(4-fluorophenyl)ethyl]-3-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is IOJAWBYOKRBLRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClFN2O2/c1-12-17(18(25-23-12)15-4-2-3-5-16(15)20)19(24)22-11-10-13-6-8-14(21)9-7-13/h2-9H,10-11H2,1H3,(H,22,24).
What are the key properties of 5-(2-chlorophenyl)-N-[2-(4-fluorophenyl)ethyl]-3-methyl-1,2-oxazole-4-carboxamide?
5-(2-chlorophenyl)-N-[2-(4-fluorophenyl)ethyl]-3-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 358.80 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-N-[2-(4-fluorophenyl)ethyl]-3-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 46097141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).