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

C17H12ClFN2O2 — CID 119041914

IUPACN-(2-chlorophenyl)-2-(2-fluorophenyl)-5-methyl-1,3-oxazole-4-carboxamide
SMILESCc1oc(-c2ccccc2F)nc1C(=O)Nc1ccccc1Cl
InChIInChI=1S/C17H12ClFN2O2/c1-10-15(16(22)20-14-9-5-3-7-12(14)18)21-17(23-10)11-6-2-4-8-13(11)19/h2-9H,1H3,(H,20,22)
InChIKeyOIKLMJRJEOCWNF-UHFFFAOYSA-N
MW330.75 g/mol
LogP4.69
Rot. Bonds3

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

N-(2-chlorophenyl)-2-(2-fluorophenyl)-5-methyl-1,3-oxazole-4-carboxamide (PubChem CID 119041914) has the molecular formula C17H12ClFN2O2 and a molecular weight of 330.75 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-(2-fluorophenyl)-5-methyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-(2-fluorophenyl)-5-methyl-1,3-oxazole-4-carboxamide
PubChem CID119041914
Molecular FormulaC17H12ClFN2O2
Molecular Weight330.75 g/mol
Exact Mass330.06
IUPAC NameN-(2-chlorophenyl)-2-(2-fluorophenyl)-5-methyl-1,3-oxazole-4-carboxamide
SMILESCc1oc(-c2ccccc2F)nc1C(=O)Nc1ccccc1Cl
InChIInChI=1S/C17H12ClFN2O2/c1-10-15(16(22)20-14-9-5-3-7-12(14)18)21-17(23-10)11-6-2-4-8-13(11)19/h2-9H,1H3,(H,20,22)
InChIKeyOIKLMJRJEOCWNF-UHFFFAOYSA-N
XLogP4.69
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.75
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-fluorophenyl)-5-methyl-N-(pyridin-3-ylmethyl)-1,3-oxazole-4-carboxamide
CID 122175341
N-(2,4-difluorophenyl)-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide
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N-(2-amino-4,5-dichlorophenyl)-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide
CID 90882730
N-(2-chlorophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
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CID 99696295
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N'-(2-chlorobenzoyl)-5-methyl-2-phenyl-1,3-oxazole-4-carbohydrazide
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N-(4-chloro-2-methylphenyl)-5-(2-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide
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N-(2-chlorophenyl)-5-(4-chlorophenyl)-2-methylfuran-3-carboxamide
CID 2742801
3-chloro-N-[2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]benzamide
CID 110641258
5-methyl-2-phenyl-N-(2-piperidin-1-ylsulfonylphenyl)-1,3-oxazole-4-carboxamide
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CID 62509353

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-(2-fluorophenyl)-5-methyl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-2-(2-fluorophenyl)-5-methyl-1,3-oxazole-4-carboxamide (CID 119041914) is N-(2-chlorophenyl)-2-(2-fluorophenyl)-5-methyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-(2-fluorophenyl)-5-methyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-2-(2-fluorophenyl)-5-methyl-1,3-oxazole-4-carboxamide is Cc1oc(-c2ccccc2F)nc1C(=O)Nc1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-2-(2-fluorophenyl)-5-methyl-1,3-oxazole-4-carboxamide?
The InChIKey is OIKLMJRJEOCWNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClFN2O2/c1-10-15(16(22)20-14-9-5-3-7-12(14)18)21-17(23-10)11-6-2-4-8-13(11)19/h2-9H,1H3,(H,20,22).
What are the key properties of N-(2-chlorophenyl)-2-(2-fluorophenyl)-5-methyl-1,3-oxazole-4-carboxamide?
N-(2-chlorophenyl)-2-(2-fluorophenyl)-5-methyl-1,3-oxazole-4-carboxamide has a molecular weight of 330.75 g/mol, XLogP of 4.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-(2-fluorophenyl)-5-methyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 119041914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).