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

C20H17F3N4O3 — CID 122189941

IUPAC5-methyl-N-[2-methyl-4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-1,2-oxazole-4-carboxamide
SMILESCc1cc(NC(=O)Nc2cccc(C(F)(F)F)c2)ccc1NC(=O)c1cnoc1C
InChIInChI=1S/C20H17F3N4O3/c1-11-8-15(6-7-17(11)27-18(28)16-10-24-30-12(16)2)26-19(29)25-14-5-3-4-13(9-14)20(21,22)23/h3-10H,1-2H3,(H,27,28)(H2,25,26,29)
InChIKeyPHCZXQGTJLPZTH-UHFFFAOYSA-N
MW418.38 g/mol
LogP5.21
Rot. Bonds4

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

5-methyl-N-[2-methyl-4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-1,2-oxazole-4-carboxamide (PubChem CID 122189941) has the molecular formula C20H17F3N4O3 and a molecular weight of 418.38 g/mol. Its IUPAC name is 5-methyl-N-[2-methyl-4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[2-methyl-4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-1,2-oxazole-4-carboxamide
PubChem CID122189941
Molecular FormulaC20H17F3N4O3
Molecular Weight418.38 g/mol
Exact Mass418.13
IUPAC Name5-methyl-N-[2-methyl-4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-1,2-oxazole-4-carboxamide
SMILESCc1cc(NC(=O)Nc2cccc(C(F)(F)F)c2)ccc1NC(=O)c1cnoc1C
InChIInChI=1S/C20H17F3N4O3/c1-11-8-15(6-7-17(11)27-18(28)16-10-24-30-12(16)2)26-19(29)25-14-5-3-4-13(9-14)20(21,22)23/h3-10H,1-2H3,(H,27,28)(H2,25,26,29)
InChIKeyPHCZXQGTJLPZTH-UHFFFAOYSA-N
XLogP5.21
TPSA96.26 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.38
LogP ≤ 55.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 3899
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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
T6893643
CID 850846
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
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-[[2-(2-fluorophenyl)acetyl]amino]-2-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 122189921
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

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-methyl-4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-1,2-oxazole-4-carboxamide?
The IUPAC name of 5-methyl-N-[2-methyl-4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-1,2-oxazole-4-carboxamide (CID 122189941) is 5-methyl-N-[2-methyl-4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-[2-methyl-4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-[2-methyl-4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-1,2-oxazole-4-carboxamide is Cc1cc(NC(=O)Nc2cccc(C(F)(F)F)c2)ccc1NC(=O)c1cnoc1C.
What is the InChIKey of 5-methyl-N-[2-methyl-4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-1,2-oxazole-4-carboxamide?
The InChIKey is PHCZXQGTJLPZTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N4O3/c1-11-8-15(6-7-17(11)27-18(28)16-10-24-30-12(16)2)26-19(29)25-14-5-3-4-13(9-14)20(21,22)23/h3-10H,1-2H3,(H,27,28)(H2,25,26,29).
What are the key properties of 5-methyl-N-[2-methyl-4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-1,2-oxazole-4-carboxamide?
5-methyl-N-[2-methyl-4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-1,2-oxazole-4-carboxamide has a molecular weight of 418.38 g/mol, XLogP of 5.21, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-methyl-4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 122189941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).