3-(3,4-dimethoxyphenyl)-N-[4-(trifluoromethoxy)phenyl]-1,2-oxazole-5-carboxamide

C19H15F3N2O5 — CID 46273326

IUPAC3-(3,4-dimethoxyphenyl)-N-[4-(trifluoromethoxy)phenyl]-1,2-oxazole-5-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)Nc3ccc(OC(F)(F)F)cc3)on2)cc1OC
InChIInChI=1S/C19H15F3N2O5/c1-26-15-8-3-11(9-16(15)27-2)14-10-17(29-24-14)18(25)23-12-4-6-13(7-5-12)28-19(20,21)22/h3-10H,1-2H3,(H,23,25)
InChIKeyMFHDKQCBZCAGGO-UHFFFAOYSA-N
MW408.33 g/mol
LogP4.51
Rot. Bonds6

About 3-(3,4-dimethoxyphenyl)-N-[4-(trifluoromethoxy)phenyl]-1,2-oxazole-5-carboxamide

3-(3,4-dimethoxyphenyl)-N-[4-(trifluoromethoxy)phenyl]-1,2-oxazole-5-carboxamide (PubChem CID 46273326) has the molecular formula C19H15F3N2O5 and a molecular weight of 408.33 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-N-[4-(trifluoromethoxy)phenyl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-N-[4-(trifluoromethoxy)phenyl]-1,2-oxazole-5-carboxamide
PubChem CID46273326
Molecular FormulaC19H15F3N2O5
Molecular Weight408.33 g/mol
Exact Mass408.09
IUPAC Name3-(3,4-dimethoxyphenyl)-N-[4-(trifluoromethoxy)phenyl]-1,2-oxazole-5-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)Nc3ccc(OC(F)(F)F)cc3)on2)cc1OC
InChIInChI=1S/C19H15F3N2O5/c1-26-15-8-3-11(9-16(15)27-2)14-10-17(29-24-14)18(25)23-12-4-6-13(7-5-12)28-19(20,21)22/h3-10H,1-2H3,(H,23,25)
InChIKeyMFHDKQCBZCAGGO-UHFFFAOYSA-N
XLogP4.51
TPSA82.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.33
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-methyl-2-[[3-[4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]phenyl]-1,2-oxazole-5-carbonyl]amino]butanoic acid
CID 67353464
2-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 16879344
2,5-dimethoxy-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 8621705
ethyl 3-[4-(trifluoromethoxy)phenyl]-1,2-oxazole-5-carboxylate
CID 139453528
N-(2,4-dimethoxyphenyl)-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide
CID 46427832
3-(4-methoxyphenyl)-N-[4-(trifluoromethoxy)phenyl]-1H-pyrazole-5-carboxamide
CID 19508730
3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 16552258
2,3,4-trimethoxy-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 7768109
3-methoxy-N-(4-methoxyphenyl)-1,2-oxazole-5-carboxamide
CID 90573837
3-(3-methoxyphenyl)-1-methyl-N-[4-(trifluoromethoxy)phenyl]pyrazole-5-carboxamide
CID 121089502
methyl 3-(3-iodo-4-methoxyphenyl)-1,2-oxazole-5-carboxylate
CID 67512931
4-methoxy-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 2678249

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-N-[4-(trifluoromethoxy)phenyl]-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-N-[4-(trifluoromethoxy)phenyl]-1,2-oxazole-5-carboxamide (CID 46273326) is 3-(3,4-dimethoxyphenyl)-N-[4-(trifluoromethoxy)phenyl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-N-[4-(trifluoromethoxy)phenyl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-N-[4-(trifluoromethoxy)phenyl]-1,2-oxazole-5-carboxamide is COc1ccc(-c2cc(C(=O)Nc3ccc(OC(F)(F)F)cc3)on2)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-N-[4-(trifluoromethoxy)phenyl]-1,2-oxazole-5-carboxamide?
The InChIKey is MFHDKQCBZCAGGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N2O5/c1-26-15-8-3-11(9-16(15)27-2)14-10-17(29-24-14)18(25)23-12-4-6-13(7-5-12)28-19(20,21)22/h3-10H,1-2H3,(H,23,25).
What are the key properties of 3-(3,4-dimethoxyphenyl)-N-[4-(trifluoromethoxy)phenyl]-1,2-oxazole-5-carboxamide?
3-(3,4-dimethoxyphenyl)-N-[4-(trifluoromethoxy)phenyl]-1,2-oxazole-5-carboxamide has a molecular weight of 408.33 g/mol, XLogP of 4.51, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-N-[4-(trifluoromethoxy)phenyl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 46273326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).