5-(2-methoxyphenyl)-N-[3-(trifluoromethoxy)phenyl]-1,2-oxazole-3-carboxamide

C18H13F3N2O4 — CID 37342704

IUPAC5-(2-methoxyphenyl)-N-[3-(trifluoromethoxy)phenyl]-1,2-oxazole-3-carboxamide
SMILESCOc1ccccc1-c1cc(C(=O)Nc2cccc(OC(F)(F)F)c2)no1
InChIInChI=1S/C18H13F3N2O4/c1-25-15-8-3-2-7-13(15)16-10-14(23-27-16)17(24)22-11-5-4-6-12(9-11)26-18(19,20)21/h2-10H,1H3,(H,22,24)
InChIKeyCKOCRVDSBZYKLS-UHFFFAOYSA-N
MW378.31 g/mol
LogP4.50
Rot. Bonds5

About 5-(2-methoxyphenyl)-N-[3-(trifluoromethoxy)phenyl]-1,2-oxazole-3-carboxamide

5-(2-methoxyphenyl)-N-[3-(trifluoromethoxy)phenyl]-1,2-oxazole-3-carboxamide (PubChem CID 37342704) has the molecular formula C18H13F3N2O4 and a molecular weight of 378.31 g/mol. Its IUPAC name is 5-(2-methoxyphenyl)-N-[3-(trifluoromethoxy)phenyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(2-methoxyphenyl)-N-[3-(trifluoromethoxy)phenyl]-1,2-oxazole-3-carboxamide
PubChem CID37342704
Molecular FormulaC18H13F3N2O4
Molecular Weight378.31 g/mol
Exact Mass378.08
IUPAC Name5-(2-methoxyphenyl)-N-[3-(trifluoromethoxy)phenyl]-1,2-oxazole-3-carboxamide
SMILESCOc1ccccc1-c1cc(C(=O)Nc2cccc(OC(F)(F)F)c2)no1
InChIInChI=1S/C18H13F3N2O4/c1-25-15-8-3-2-7-13(15)16-10-14(23-27-16)17(24)22-11-5-4-6-12(9-11)26-18(19,20)21/h2-10H,1H3,(H,22,24)
InChIKeyCKOCRVDSBZYKLS-UHFFFAOYSA-N
XLogP4.50
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.31
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-methoxyphenyl)-N-(3-methylphenyl)-1,2-oxazole-3-carboxamide
CID 46417466
5-(2-methoxyphenyl)-N-[3-(phenylcarbamoylamino)phenyl]-1,2-oxazole-3-carboxamide
CID 46417646
5-(2-methoxyphenyl)-N-[2-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
CID 15988743
5-(2-methoxyphenyl)-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)-1,2-oxazole-3-carboxamide
CID 47028094
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 46417635
3-methoxy-4-methyl-N-[3-(trifluoromethoxy)phenyl]benzamide
CID 38033064
N-(2-bromo-4,6-difluorophenyl)-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 3245080
5-(2,5-dimethoxyphenyl)-N-pyridin-4-yl-1,2-oxazole-3-carboxamide
CID 49016837
methyl 5-[3-(trifluoromethoxy)phenyl]-1,2-oxazole-3-carboxylate
CID 154791532
N-[3-(trifluoromethoxy)phenyl]quinoline-2-carboxamide
CID 38032613
2-chloro-N-[3-(trifluoromethoxy)phenyl]benzamide
CID 38257874
6-amino-N-[3-(trifluoromethoxy)phenyl]pyridine-2-carboxamide
CID 62239085

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyphenyl)-N-[3-(trifluoromethoxy)phenyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(2-methoxyphenyl)-N-[3-(trifluoromethoxy)phenyl]-1,2-oxazole-3-carboxamide (CID 37342704) is 5-(2-methoxyphenyl)-N-[3-(trifluoromethoxy)phenyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(2-methoxyphenyl)-N-[3-(trifluoromethoxy)phenyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(2-methoxyphenyl)-N-[3-(trifluoromethoxy)phenyl]-1,2-oxazole-3-carboxamide is COc1ccccc1-c1cc(C(=O)Nc2cccc(OC(F)(F)F)c2)no1.
What is the InChIKey of 5-(2-methoxyphenyl)-N-[3-(trifluoromethoxy)phenyl]-1,2-oxazole-3-carboxamide?
The InChIKey is CKOCRVDSBZYKLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N2O4/c1-25-15-8-3-2-7-13(15)16-10-14(23-27-16)17(24)22-11-5-4-6-12(9-11)26-18(19,20)21/h2-10H,1H3,(H,22,24).
What are the key properties of 5-(2-methoxyphenyl)-N-[3-(trifluoromethoxy)phenyl]-1,2-oxazole-3-carboxamide?
5-(2-methoxyphenyl)-N-[3-(trifluoromethoxy)phenyl]-1,2-oxazole-3-carboxamide has a molecular weight of 378.31 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyphenyl)-N-[3-(trifluoromethoxy)phenyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 37342704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).