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

C18H14F3N3O3 — CID 46097283

IUPAC3-methyl-N-(pyridin-3-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]-1,2-oxazole-4-carboxamide
SMILESCc1noc(-c2ccc(OC(F)(F)F)cc2)c1C(=O)NCc1cccnc1
InChIInChI=1S/C18H14F3N3O3/c1-11-15(17(25)23-10-12-3-2-8-22-9-12)16(27-24-11)13-4-6-14(7-5-13)26-18(19,20)21/h2-9H,10H2,1H3,(H,23,25)
InChIKeySPPUOWCCTBYWFF-UHFFFAOYSA-N
MW377.32 g/mol
LogP3.87
Rot. Bonds5

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

3-methyl-N-(pyridin-3-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]-1,2-oxazole-4-carboxamide (PubChem CID 46097283) has the molecular formula C18H14F3N3O3 and a molecular weight of 377.32 g/mol. Its IUPAC name is 3-methyl-N-(pyridin-3-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(pyridin-3-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]-1,2-oxazole-4-carboxamide
PubChem CID46097283
Molecular FormulaC18H14F3N3O3
Molecular Weight377.32 g/mol
Exact Mass377.10
IUPAC Name3-methyl-N-(pyridin-3-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]-1,2-oxazole-4-carboxamide
SMILESCc1noc(-c2ccc(OC(F)(F)F)cc2)c1C(=O)NCc1cccnc1
InChIInChI=1S/C18H14F3N3O3/c1-11-15(17(25)23-10-12-3-2-8-22-9-12)16(27-24-11)13-4-6-14(7-5-13)26-18(19,20)21/h2-9H,10H2,1H3,(H,23,25)
InChIKeySPPUOWCCTBYWFF-UHFFFAOYSA-N
XLogP3.87
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.32
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(pyridin-3-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-methyl-N-(pyridin-3-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]-1,2-oxazole-4-carboxamide (CID 46097283) is 3-methyl-N-(pyridin-3-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-methyl-N-(pyridin-3-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-methyl-N-(pyridin-3-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]-1,2-oxazole-4-carboxamide is Cc1noc(-c2ccc(OC(F)(F)F)cc2)c1C(=O)NCc1cccnc1.
What is the InChIKey of 3-methyl-N-(pyridin-3-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]-1,2-oxazole-4-carboxamide?
The InChIKey is SPPUOWCCTBYWFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N3O3/c1-11-15(17(25)23-10-12-3-2-8-22-9-12)16(27-24-11)13-4-6-14(7-5-13)26-18(19,20)21/h2-9H,10H2,1H3,(H,23,25).
What are the key properties of 3-methyl-N-(pyridin-3-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]-1,2-oxazole-4-carboxamide?
3-methyl-N-(pyridin-3-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]-1,2-oxazole-4-carboxamide has a molecular weight of 377.32 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(pyridin-3-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 46097283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).