N-[5-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-2-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide

C20H16ClF3N4O3 — CID 122189935

IUPACN-[5-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-2-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1ccc(NC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1NC(=O)c1cnoc1C
InChIInChI=1S/C20H16ClF3N4O3/c1-10-3-4-13(8-17(10)28-18(29)14-9-25-31-11(14)2)27-19(30)26-12-5-6-16(21)15(7-12)20(22,23)24/h3-9H,1-2H3,(H,28,29)(H2,26,27,30)
InChIKeyBMGVHAWWNGXBPC-UHFFFAOYSA-N
MW452.82 g/mol
LogP5.86
Rot. Bonds4

About N-[5-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-2-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide

N-[5-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-2-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 122189935) has the molecular formula C20H16ClF3N4O3 and a molecular weight of 452.82 g/mol. Its IUPAC name is N-[5-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-2-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[5-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-2-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID122189935
Molecular FormulaC20H16ClF3N4O3
Molecular Weight452.82 g/mol
Exact Mass452.09
IUPAC NameN-[5-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-2-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1ccc(NC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1NC(=O)c1cnoc1C
InChIInChI=1S/C20H16ClF3N4O3/c1-10-3-4-13(8-17(10)28-18(29)14-9-25-31-11(14)2)27-19(30)26-12-5-6-16(21)15(7-12)20(22,23)24/h3-9H,1-2H3,(H,28,29)(H2,26,27,30)
InChIKeyBMGVHAWWNGXBPC-UHFFFAOYSA-N
XLogP5.86
TPSA96.26 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.82
LogP ≤ 55.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-[(3,4-dichlorophenyl)carbamoylamino]-2-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 122189939
N-[5-[[4-chloro-3-(trifluoromethyl)benzoyl]amino]-2-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 122189920
N-[5-[(4-chlorophenyl)carbamoylamino]-2-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 122189933
5-methyl-N-[2-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-1,2-oxazole-4-carboxamide
CID 122189934
N-[5-[(2-fluorophenyl)carbamoylamino]-2-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 122189936
N-[5-[(3-chlorophenyl)carbamoylamino]-2-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 122189937
N-[5-[(3,5-dichlorophenyl)carbamoylamino]-2-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 122189938
N-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-2-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 122189940
5-methyl-N-[2-methyl-4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-1,2-oxazole-4-carboxamide
CID 122189941
N-[4-[(3-chlorophenyl)carbamoylamino]-2-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 122189942
N-[4-[(2-fluorophenyl)carbamoylamino]-2-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 122189943
N-[4-[(4-chlorophenyl)carbamoylamino]-2-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 122189944

Frequently Asked Questions

What is the IUPAC name of N-[5-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-2-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[5-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-2-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide (CID 122189935) is N-[5-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-2-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[5-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-2-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[5-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-2-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide is Cc1ccc(NC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1NC(=O)c1cnoc1C.
What is the InChIKey of N-[5-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-2-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is BMGVHAWWNGXBPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClF3N4O3/c1-10-3-4-13(8-17(10)28-18(29)14-9-25-31-11(14)2)27-19(30)26-12-5-6-16(21)15(7-12)20(22,23)24/h3-9H,1-2H3,(H,28,29)(H2,26,27,30).
What are the key properties of N-[5-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-2-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide?
N-[5-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-2-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 452.82 g/mol, XLogP of 5.86, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-2-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 122189935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).