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

C19H14F3N3O3 — CID 16745822

IUPACN-[2-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]-1,2-oxazole-5-carboxamide
SMILESCc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1NC(=O)c1ccno1
InChIInChI=1S/C19H14F3N3O3/c1-11-5-6-12(9-15(11)25-18(27)16-7-8-23-28-16)17(26)24-14-4-2-3-13(10-14)19(20,21)22/h2-10H,1H3,(H,24,26)(H,25,27)
InChIKeyQADFJIBZNAGJJL-UHFFFAOYSA-N
MW389.33 g/mol
LogP4.51
Rot. Bonds4

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

N-[2-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]-1,2-oxazole-5-carboxamide (PubChem CID 16745822) has the molecular formula C19H14F3N3O3 and a molecular weight of 389.33 g/mol. Its IUPAC name is N-[2-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]-1,2-oxazole-5-carboxamide
PubChem CID16745822
Molecular FormulaC19H14F3N3O3
Molecular Weight389.33 g/mol
Exact Mass389.10
IUPAC NameN-[2-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]-1,2-oxazole-5-carboxamide
SMILESCc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1NC(=O)c1ccno1
InChIInChI=1S/C19H14F3N3O3/c1-11-5-6-12(9-15(11)25-18(27)16-7-8-23-28-16)17(26)24-14-4-2-3-13(10-14)19(20,21)22/h2-10H,1H3,(H,24,26)(H,25,27)
InChIKeyQADFJIBZNAGJJL-UHFFFAOYSA-N
XLogP4.51
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.33
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

T56-LIMKi
CID 9438169
N-(2-methylphenyl)-1,2-oxazole-5-carboxamide
CID 7996638
N-(4'-{[(Cyclopropylmethyl)amino]carbonyl}-6-methyl-1,1'-biphenyl-3-yl)isoxazole-5-carboxamide
CID 44578461
N-[5-[[4-[(4-ethylpiperazino)methyl]-3-(trifluoromethyl)phenyl]carbamoyl]-2-methyl-phenyl]isoxazole-5-carboxamide
CID 16745811
N-(5-(4-((4-ethylpiperazin-1-yl)methyl)-3-(trifluoromethyl)phenylcarbamoyl)-2-methylphenyl)isoxazole-5-carboxamide 2,2,2-trifluoroacetate
CID 46902906
N-[3-[[4-(cyclohexylcarbamoyl)piperidin-1-yl]methyl]phenyl]-1,2-oxazole-5-carboxamide
CID 129626030
Isoxazole-5-carboxylic acid (cyclopentylcarbamoyl-phenyl-methyl)-phenyl-amide
CID 3210624
N-(2-methyl-5-(3-(trifluoromethyl)phenylcarbamoyl)phenyl)isoxazole-5-carboxamide 2,2,2-trifluoroacetate
CID 46902897
5-isoxazoyl-Cha-Ile-(3-aminophenyl)-(4-[aminomethyl]piperidin-1-yl)methanone
CID 49788440
N-[2-methyl-5-[oxo-[3-(1-oxoprop-2-enylamino)-5-(trifluoromethyl)anilino]methyl]phenyl]-5-isoxazolecarboxamide
CID 73265214
N-[(2S)-1-(3-carbamoylanilino)-3-cyclohexyl-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide
CID 156009830
N-[(2S)-1-(2-carbamoylanilino)-3-cyclohexyl-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide
CID 156013443

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[2-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]-1,2-oxazole-5-carboxamide (CID 16745822) is N-[2-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[2-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[2-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]-1,2-oxazole-5-carboxamide is Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1NC(=O)c1ccno1.
What is the InChIKey of N-[2-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]-1,2-oxazole-5-carboxamide?
The InChIKey is QADFJIBZNAGJJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N3O3/c1-11-5-6-12(9-15(11)25-18(27)16-7-8-23-28-16)17(26)24-14-4-2-3-13(10-14)19(20,21)22/h2-10H,1H3,(H,24,26)(H,25,27).
What are the key properties of N-[2-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]-1,2-oxazole-5-carboxamide?
N-[2-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]-1,2-oxazole-5-carboxamide has a molecular weight of 389.33 g/mol, XLogP of 4.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 16745822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).