4-methyl-N-[4-methyl-3-[1-(1,2-oxazole-5-carbonyl)piperidin-4-yl]oxyphenyl]-3-(trifluoromethyl)benzamide

C25H24F3N3O4 — CID 127044434

IUPAC4-methyl-N-[4-methyl-3-[1-(1,2-oxazole-5-carbonyl)piperidin-4-yl]oxyphenyl]-3-(trifluoromethyl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(C)c(C(F)(F)F)c2)cc1OC1CCN(C(=O)c2ccno2)CC1
InChIInChI=1S/C25H24F3N3O4/c1-15-3-5-17(13-20(15)25(26,27)28)23(32)30-18-6-4-16(2)22(14-18)34-19-8-11-31(12-9-19)24(33)21-7-10-29-35-21/h3-7,10,13-14,19H,8-9,11-12H2,1-2H3,(H,30,32)
InChIKeyVDGOHCOXNSFGQS-UHFFFAOYSA-N
MW487.48 g/mol
LogP5.25
Rot. Bonds5

About 4-methyl-N-[4-methyl-3-[1-(1,2-oxazole-5-carbonyl)piperidin-4-yl]oxyphenyl]-3-(trifluoromethyl)benzamide

4-methyl-N-[4-methyl-3-[1-(1,2-oxazole-5-carbonyl)piperidin-4-yl]oxyphenyl]-3-(trifluoromethyl)benzamide (PubChem CID 127044434) has the molecular formula C25H24F3N3O4 and a molecular weight of 487.48 g/mol. Its IUPAC name is 4-methyl-N-[4-methyl-3-[1-(1,2-oxazole-5-carbonyl)piperidin-4-yl]oxyphenyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name4-methyl-N-[4-methyl-3-[1-(1,2-oxazole-5-carbonyl)piperidin-4-yl]oxyphenyl]-3-(trifluoromethyl)benzamide
PubChem CID127044434
Molecular FormulaC25H24F3N3O4
Molecular Weight487.48 g/mol
Exact Mass487.17
IUPAC Name4-methyl-N-[4-methyl-3-[1-(1,2-oxazole-5-carbonyl)piperidin-4-yl]oxyphenyl]-3-(trifluoromethyl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(C)c(C(F)(F)F)c2)cc1OC1CCN(C(=O)c2ccno2)CC1
InChIInChI=1S/C25H24F3N3O4/c1-15-3-5-17(13-20(15)25(26,27)28)23(32)30-18-6-4-16(2)22(14-18)34-19-8-11-31(12-9-19)24(33)21-7-10-29-35-21/h3-7,10,13-14,19H,8-9,11-12H2,1-2H3,(H,30,32)
InChIKeyVDGOHCOXNSFGQS-UHFFFAOYSA-N
XLogP5.25
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.48
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[4-methyl-3-[1-(1,2-oxazole-5-carbonyl)piperidin-4-yl]oxyphenyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of 4-methyl-N-[4-methyl-3-[1-(1,2-oxazole-5-carbonyl)piperidin-4-yl]oxyphenyl]-3-(trifluoromethyl)benzamide (CID 127044434) is 4-methyl-N-[4-methyl-3-[1-(1,2-oxazole-5-carbonyl)piperidin-4-yl]oxyphenyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for 4-methyl-N-[4-methyl-3-[1-(1,2-oxazole-5-carbonyl)piperidin-4-yl]oxyphenyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for 4-methyl-N-[4-methyl-3-[1-(1,2-oxazole-5-carbonyl)piperidin-4-yl]oxyphenyl]-3-(trifluoromethyl)benzamide is Cc1ccc(NC(=O)c2ccc(C)c(C(F)(F)F)c2)cc1OC1CCN(C(=O)c2ccno2)CC1.
What is the InChIKey of 4-methyl-N-[4-methyl-3-[1-(1,2-oxazole-5-carbonyl)piperidin-4-yl]oxyphenyl]-3-(trifluoromethyl)benzamide?
The InChIKey is VDGOHCOXNSFGQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F3N3O4/c1-15-3-5-17(13-20(15)25(26,27)28)23(32)30-18-6-4-16(2)22(14-18)34-19-8-11-31(12-9-19)24(33)21-7-10-29-35-21/h3-7,10,13-14,19H,8-9,11-12H2,1-2H3,(H,30,32).
What are the key properties of 4-methyl-N-[4-methyl-3-[1-(1,2-oxazole-5-carbonyl)piperidin-4-yl]oxyphenyl]-3-(trifluoromethyl)benzamide?
4-methyl-N-[4-methyl-3-[1-(1,2-oxazole-5-carbonyl)piperidin-4-yl]oxyphenyl]-3-(trifluoromethyl)benzamide has a molecular weight of 487.48 g/mol, XLogP of 5.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[4-methyl-3-[1-(1,2-oxazole-5-carbonyl)piperidin-4-yl]oxyphenyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 127044434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).