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

C19H17FN4O3 — CID 122189936

IUPACN-[5-[(2-fluorophenyl)carbamoylamino]-2-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1ccc(NC(=O)Nc2ccccc2F)cc1NC(=O)c1cnoc1C
InChIInChI=1S/C19H17FN4O3/c1-11-7-8-13(22-19(26)24-16-6-4-3-5-15(16)20)9-17(11)23-18(25)14-10-21-27-12(14)2/h3-10H,1-2H3,(H,23,25)(H2,22,24,26)
InChIKeyWIGSZRZWDBPAGG-UHFFFAOYSA-N
MW368.37 g/mol
LogP4.33
Rot. Bonds4

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

N-[5-[(2-fluorophenyl)carbamoylamino]-2-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 122189936) has the molecular formula C19H17FN4O3 and a molecular weight of 368.37 g/mol. Its IUPAC name is N-[5-[(2-fluorophenyl)carbamoylamino]-2-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[5-[(2-fluorophenyl)carbamoylamino]-2-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID122189936
Molecular FormulaC19H17FN4O3
Molecular Weight368.37 g/mol
Exact Mass368.13
IUPAC NameN-[5-[(2-fluorophenyl)carbamoylamino]-2-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1ccc(NC(=O)Nc2ccccc2F)cc1NC(=O)c1cnoc1C
InChIInChI=1S/C19H17FN4O3/c1-11-7-8-13(22-19(26)24-16-6-4-3-5-15(16)20)9-17(11)23-18(25)14-10-21-27-12(14)2/h3-10H,1-2H3,(H,23,25)(H2,22,24,26)
InChIKeyWIGSZRZWDBPAGG-UHFFFAOYSA-N
XLogP4.33
TPSA96.26 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.37
LogP ≤ 54.33
H-Bond Donors ≤ 53
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-naphthyl)-4-isoxazolecarboxamide
CID 850303
N-[5-[(3,5-dimethylbenzoyl)amino]-2-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 122189928
N-[5-[(3,4-dichlorophenyl)carbamoylamino]-2-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 122189939
5-Methyl-N-[2-(trifluoromethyl)phenyl]isoxazole-4-carboxamide
CID 21912858
5-Methyl-N-(3-(trifluoromethyl)phenyl)isoxazole-4-carboxamide
CID 7314718
N-[5-[[2-(2-fluorophenyl)acetyl]amino]-2-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 122189921
5-methyl-N-[2-methyl-5-[[2-(4-phenylphenyl)acetyl]amino]phenyl]-1,2-oxazole-4-carboxamide
CID 122189926
5-methyl-N-[2-methyl-5-[(4-phenylbenzoyl)amino]phenyl]-1,2-oxazole-4-carboxamide
CID 122189929
N-[5-[(4-chlorophenyl)carbamoylamino]-2-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 122189933

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2-fluorophenyl)carbamoylamino]-2-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[5-[(2-fluorophenyl)carbamoylamino]-2-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide (CID 122189936) is N-[5-[(2-fluorophenyl)carbamoylamino]-2-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[5-[(2-fluorophenyl)carbamoylamino]-2-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[5-[(2-fluorophenyl)carbamoylamino]-2-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide is Cc1ccc(NC(=O)Nc2ccccc2F)cc1NC(=O)c1cnoc1C.
What is the InChIKey of N-[5-[(2-fluorophenyl)carbamoylamino]-2-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is WIGSZRZWDBPAGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O3/c1-11-7-8-13(22-19(26)24-16-6-4-3-5-15(16)20)9-17(11)23-18(25)14-10-21-27-12(14)2/h3-10H,1-2H3,(H,23,25)(H2,22,24,26).
What are the key properties of N-[5-[(2-fluorophenyl)carbamoylamino]-2-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide?
N-[5-[(2-fluorophenyl)carbamoylamino]-2-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 368.37 g/mol, XLogP of 4.33, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2-fluorophenyl)carbamoylamino]-2-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 122189936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).