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

C20H17F3N2O3 — CID 52904562

IUPAC5-(4-propan-2-yloxyphenyl)-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
SMILESCC(C)Oc1ccc(-c2cc(C(=O)Nc3cccc(C(F)(F)F)c3)no2)cc1
InChIInChI=1S/C20H17F3N2O3/c1-12(2)27-16-8-6-13(7-9-16)18-11-17(25-28-18)19(26)24-15-5-3-4-14(10-15)20(21,22)23/h3-12H,1-2H3,(H,24,26)
InChIKeyLXHGIXMKBVOQRR-UHFFFAOYSA-N
MW390.36 g/mol
LogP5.40
Rot. Bonds5

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

5-(4-propan-2-yloxyphenyl)-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide (PubChem CID 52904562) has the molecular formula C20H17F3N2O3 and a molecular weight of 390.36 g/mol. Its IUPAC name is 5-(4-propan-2-yloxyphenyl)-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(4-propan-2-yloxyphenyl)-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
PubChem CID52904562
Molecular FormulaC20H17F3N2O3
Molecular Weight390.36 g/mol
Exact Mass390.12
IUPAC Name5-(4-propan-2-yloxyphenyl)-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
SMILESCC(C)Oc1ccc(-c2cc(C(=O)Nc3cccc(C(F)(F)F)c3)no2)cc1
InChIInChI=1S/C20H17F3N2O3/c1-12(2)27-16-8-6-13(7-9-16)18-11-17(25-28-18)19(26)24-15-5-3-4-14(10-15)20(21,22)23/h3-12H,1-2H3,(H,24,26)
InChIKeyLXHGIXMKBVOQRR-UHFFFAOYSA-N
XLogP5.40
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.36
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-propan-2-yloxyphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 46065722
4-propan-2-yloxy-N-[3-(trifluoromethyl)phenyl]benzamide
CID 806811
N-(4-propan-2-yloxyphenyl)-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 108987361
N-(5-methyl-1,2-oxazol-3-yl)-5-(4-propan-2-yloxyphenyl)-1,2-oxazole-3-carboxamide
CID 52904581
6-N-propan-2-yl-2-N-[3-(trifluoromethyl)phenyl]pyridine-2,6-dicarboxamide
CID 109093750
2-(4-propan-2-yloxyanilino)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 54822451
5-(4-propan-2-yloxyphenyl)-N-(1,3-thiazol-2-yl)-1,2-oxazole-3-carboxamide
CID 52904574
N-(4-butylphenyl)-5-(4-propan-2-yloxyphenyl)-1,2-oxazole-3-carboxamide
CID 52904535
N-(3-methylphenyl)-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 17011506
(2S)-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]-N-[3-(trifluoromethyl)phenyl]propanamide
CID 40804812
N-[(2-chlorophenyl)methyl]-5-(4-propan-2-yloxyphenyl)-1,2-oxazole-3-carboxamide
CID 52904542
methyl 2-[4-[[3-(trifluoromethyl)phenyl]carbamoyl]phenoxy]propanoate
CID 5072001

Frequently Asked Questions

What is the IUPAC name of 5-(4-propan-2-yloxyphenyl)-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(4-propan-2-yloxyphenyl)-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide (CID 52904562) is 5-(4-propan-2-yloxyphenyl)-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(4-propan-2-yloxyphenyl)-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(4-propan-2-yloxyphenyl)-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide is CC(C)Oc1ccc(-c2cc(C(=O)Nc3cccc(C(F)(F)F)c3)no2)cc1.
What is the InChIKey of 5-(4-propan-2-yloxyphenyl)-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide?
The InChIKey is LXHGIXMKBVOQRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N2O3/c1-12(2)27-16-8-6-13(7-9-16)18-11-17(25-28-18)19(26)24-15-5-3-4-14(10-15)20(21,22)23/h3-12H,1-2H3,(H,24,26).
What are the key properties of 5-(4-propan-2-yloxyphenyl)-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide?
5-(4-propan-2-yloxyphenyl)-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide has a molecular weight of 390.36 g/mol, XLogP of 5.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-propan-2-yloxyphenyl)-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 52904562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).