N-[5-[[2-(2-fluorophenyl)acetyl]amino]-2-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide

C20H18FN3O3 — CID 122189921

IUPACN-[5-[[2-(2-fluorophenyl)acetyl]amino]-2-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1ccc(NC(=O)Cc2ccccc2F)cc1NC(=O)c1cnoc1C
InChIInChI=1S/C20H18FN3O3/c1-12-7-8-15(23-19(25)9-14-5-3-4-6-17(14)21)10-18(12)24-20(26)16-11-22-27-13(16)2/h3-8,10-11H,9H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyLBWMLAOYKSXUOW-UHFFFAOYSA-N
MW367.38 g/mol
LogP3.86
Rot. Bonds5

About N-[5-[[2-(2-fluorophenyl)acetyl]amino]-2-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide

N-[5-[[2-(2-fluorophenyl)acetyl]amino]-2-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 122189921) has the molecular formula C20H18FN3O3 and a molecular weight of 367.38 g/mol. Its IUPAC name is N-[5-[[2-(2-fluorophenyl)acetyl]amino]-2-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[5-[[2-(2-fluorophenyl)acetyl]amino]-2-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID122189921
Molecular FormulaC20H18FN3O3
Molecular Weight367.38 g/mol
Exact Mass367.13
IUPAC NameN-[5-[[2-(2-fluorophenyl)acetyl]amino]-2-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1ccc(NC(=O)Cc2ccccc2F)cc1NC(=O)c1cnoc1C
InChIInChI=1S/C20H18FN3O3/c1-12-7-8-15(23-19(25)9-14-5-3-4-6-17(14)21)10-18(12)24-20(26)16-11-22-27-13(16)2/h3-8,10-11H,9H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyLBWMLAOYKSXUOW-UHFFFAOYSA-N
XLogP3.86
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.38
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Leflunomide
CID 3899
5-methyl-N-(1-naphthyl)-4-isoxazolecarboxamide
CID 850302
5-methyl-N-[2-methyl-5-[[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)benzoyl]amino]phenyl]-1,2-oxazole-4-carboxamide
CID 122189918
5-methyl-N-[2-methyl-5-[[4-morpholin-4-yl-3-(trifluoromethyl)benzoyl]amino]phenyl]-1,2-oxazole-4-carboxamide
CID 122189919
5-methyl-N-(2-naphthyl)-4-isoxazolecarboxamide
CID 850303
N-[5-[(3,5-dimethylbenzoyl)amino]-2-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 122189928
5-Methyl-N-[2-(trifluoromethyl)phenyl]isoxazole-4-carboxamide
CID 21912858
5-Methyl-N-(3-(trifluoromethyl)phenyl)isoxazole-4-carboxamide
CID 7314718
3,5-dimethyl-N-[2-(2-phenylethylcarbamoyl)phenyl]-1,2-oxazole-4-carboxamide
CID 2472081
N-[2-methyl-5-[oxo-[3-(1-oxoprop-2-enylamino)-5-(trifluoromethyl)anilino]methyl]phenyl]-5-isoxazolecarboxamide
CID 73265214
5-methyl-N-[2-methyl-4-[[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)benzoyl]amino]phenyl]-1,2-oxazole-4-carboxamide
CID 122189916
N-[5-[[4-chloro-3-(trifluoromethyl)benzoyl]amino]-2-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 122189920

Frequently Asked Questions

What is the IUPAC name of N-[5-[[2-(2-fluorophenyl)acetyl]amino]-2-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[5-[[2-(2-fluorophenyl)acetyl]amino]-2-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide (CID 122189921) is N-[5-[[2-(2-fluorophenyl)acetyl]amino]-2-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[5-[[2-(2-fluorophenyl)acetyl]amino]-2-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[5-[[2-(2-fluorophenyl)acetyl]amino]-2-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide is Cc1ccc(NC(=O)Cc2ccccc2F)cc1NC(=O)c1cnoc1C.
What is the InChIKey of N-[5-[[2-(2-fluorophenyl)acetyl]amino]-2-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is LBWMLAOYKSXUOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O3/c1-12-7-8-15(23-19(25)9-14-5-3-4-6-17(14)21)10-18(12)24-20(26)16-11-22-27-13(16)2/h3-8,10-11H,9H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of N-[5-[[2-(2-fluorophenyl)acetyl]amino]-2-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide?
N-[5-[[2-(2-fluorophenyl)acetyl]amino]-2-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 367.38 g/mol, XLogP of 3.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[2-(2-fluorophenyl)acetyl]amino]-2-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 122189921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).