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

C20H15ClF3N3O3 — CID 122189920

IUPACN-[5-[[4-chloro-3-(trifluoromethyl)benzoyl]amino]-2-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1NC(=O)c1cnoc1C
InChIInChI=1S/C20H15ClF3N3O3/c1-10-3-5-13(8-17(10)27-19(29)14-9-25-30-11(14)2)26-18(28)12-4-6-16(21)15(7-12)20(22,23)24/h3-9H,1-2H3,(H,26,28)(H,27,29)
InChIKeyNHJOUFPAJOXRFW-UHFFFAOYSA-N
MW437.81 g/mol
LogP5.47
Rot. Bonds4

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

N-[5-[[4-chloro-3-(trifluoromethyl)benzoyl]amino]-2-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 122189920) has the molecular formula C20H15ClF3N3O3 and a molecular weight of 437.81 g/mol. Its IUPAC name is N-[5-[[4-chloro-3-(trifluoromethyl)benzoyl]amino]-2-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[5-[[4-chloro-3-(trifluoromethyl)benzoyl]amino]-2-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID122189920
Molecular FormulaC20H15ClF3N3O3
Molecular Weight437.81 g/mol
Exact Mass437.08
IUPAC NameN-[5-[[4-chloro-3-(trifluoromethyl)benzoyl]amino]-2-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1NC(=O)c1cnoc1C
InChIInChI=1S/C20H15ClF3N3O3/c1-10-3-5-13(8-17(10)27-19(29)14-9-25-30-11(14)2)26-18(28)12-4-6-16(21)15(7-12)20(22,23)24/h3-9H,1-2H3,(H,26,28)(H,27,29)
InChIKeyNHJOUFPAJOXRFW-UHFFFAOYSA-N
XLogP5.47
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.81
LogP ≤ 55.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-[[4-chloro-3-(trifluoromethyl)benzoyl]amino]-2-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[5-[[4-chloro-3-(trifluoromethyl)benzoyl]amino]-2-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide (CID 122189920) is N-[5-[[4-chloro-3-(trifluoromethyl)benzoyl]amino]-2-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[5-[[4-chloro-3-(trifluoromethyl)benzoyl]amino]-2-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[5-[[4-chloro-3-(trifluoromethyl)benzoyl]amino]-2-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide is Cc1ccc(NC(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1NC(=O)c1cnoc1C.
What is the InChIKey of N-[5-[[4-chloro-3-(trifluoromethyl)benzoyl]amino]-2-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is NHJOUFPAJOXRFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClF3N3O3/c1-10-3-5-13(8-17(10)27-19(29)14-9-25-30-11(14)2)26-18(28)12-4-6-16(21)15(7-12)20(22,23)24/h3-9H,1-2H3,(H,26,28)(H,27,29).
What are the key properties of N-[5-[[4-chloro-3-(trifluoromethyl)benzoyl]amino]-2-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide?
N-[5-[[4-chloro-3-(trifluoromethyl)benzoyl]amino]-2-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 437.81 g/mol, XLogP of 5.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[4-chloro-3-(trifluoromethyl)benzoyl]amino]-2-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 122189920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).