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

C19H14F3N3O4 — CID 16745785

IUPACN-[3-methoxy-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]-1,2-oxazole-5-carboxamide
SMILESCOc1cc(NC(=O)c2ccno2)cc(C(=O)Nc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C19H14F3N3O4/c1-28-15-8-11(7-14(10-15)25-18(27)16-5-6-23-29-16)17(26)24-13-4-2-3-12(9-13)19(20,21)22/h2-10H,1H3,(H,24,26)(H,25,27)
InChIKeyCSZYYTNJILHNAA-UHFFFAOYSA-N
MW405.33 g/mol
LogP4.21
Rot. Bonds5

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

N-[3-methoxy-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]-1,2-oxazole-5-carboxamide (PubChem CID 16745785) has the molecular formula C19H14F3N3O4 and a molecular weight of 405.33 g/mol. Its IUPAC name is N-[3-methoxy-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-methoxy-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]-1,2-oxazole-5-carboxamide
PubChem CID16745785
Molecular FormulaC19H14F3N3O4
Molecular Weight405.33 g/mol
Exact Mass405.09
IUPAC NameN-[3-methoxy-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]-1,2-oxazole-5-carboxamide
SMILESCOc1cc(NC(=O)c2ccno2)cc(C(=O)Nc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C19H14F3N3O4/c1-28-15-8-11(7-14(10-15)25-18(27)16-5-6-23-29-16)17(26)24-13-4-2-3-12(9-13)19(20,21)22/h2-10H,1H3,(H,24,26)(H,25,27)
InChIKeyCSZYYTNJILHNAA-UHFFFAOYSA-N
XLogP4.21
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.33
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-methoxyphenyl)-1,2-oxazole-5-carboxamide
CID 110693653
5-methoxy-3-N-[3-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide
CID 69054016
2-amino-N-[3-methoxy-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]-1,3-thiazole-4-carboxamide
CID 16745808
1-(3,5-dimethoxyphenyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 971869
3-methoxy-N-[3-[[[3-(trifluoromethyl)benzoyl]amino]carbamoyl]phenyl]benzamide
CID 126228131
N-[3-methyl-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]-1,2-oxazole-5-carboxamide
CID 169307992
N-(3-amino-5-methoxyphenyl)-3-(trifluoromethyl)benzamide
CID 69057355
N-(3-methoxyphenyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 1289408
N-(3,5-dimethoxyphenyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 9096716
methyl 2-[3-(1,2-oxazole-5-carbonylamino)phenoxy]acetate
CID 61057722
3-acetamido-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
CID 46513424
3,4-dimethoxy-N-[3-(trifluoromethyl)phenyl]benzamide
CID 678380

Frequently Asked Questions

What is the IUPAC name of N-[3-methoxy-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[3-methoxy-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]-1,2-oxazole-5-carboxamide (CID 16745785) is N-[3-methoxy-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[3-methoxy-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[3-methoxy-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]-1,2-oxazole-5-carboxamide is COc1cc(NC(=O)c2ccno2)cc(C(=O)Nc2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of N-[3-methoxy-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]-1,2-oxazole-5-carboxamide?
The InChIKey is CSZYYTNJILHNAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N3O4/c1-28-15-8-11(7-14(10-15)25-18(27)16-5-6-23-29-16)17(26)24-13-4-2-3-12(9-13)19(20,21)22/h2-10H,1H3,(H,24,26)(H,25,27).
What are the key properties of N-[3-methoxy-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]-1,2-oxazole-5-carboxamide?
N-[3-methoxy-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]-1,2-oxazole-5-carboxamide has a molecular weight of 405.33 g/mol, XLogP of 4.21, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methoxy-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 16745785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).