2-methyl-N-pyridin-3-yl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide

C11H8F3N3O2 — CID 50913514

IUPAC2-methyl-N-pyridin-3-yl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
SMILESCc1nc(C(=O)Nc2cccnc2)c(C(F)(F)F)o1
InChIInChI=1S/C11H8F3N3O2/c1-6-16-8(9(19-6)11(12,13)14)10(18)17-7-3-2-4-15-5-7/h2-5H,1H3,(H,17,18)
InChIKeySSFQKFQRPKUWOM-UHFFFAOYSA-N
MW271.20 g/mol
LogP2.65
Rot. Bonds2

About 2-methyl-N-pyridin-3-yl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide

2-methyl-N-pyridin-3-yl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide (PubChem CID 50913514) has the molecular formula C11H8F3N3O2 and a molecular weight of 271.20 g/mol. Its IUPAC name is 2-methyl-N-pyridin-3-yl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-methyl-N-pyridin-3-yl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
PubChem CID50913514
Molecular FormulaC11H8F3N3O2
Molecular Weight271.20 g/mol
Exact Mass271.06
IUPAC Name2-methyl-N-pyridin-3-yl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
SMILESCc1nc(C(=O)Nc2cccnc2)c(C(F)(F)F)o1
InChIInChI=1S/C11H8F3N3O2/c1-6-16-8(9(19-6)11(12,13)14)10(18)17-7-3-2-4-15-5-7/h2-5H,1H3,(H,17,18)
InChIKeySSFQKFQRPKUWOM-UHFFFAOYSA-N
XLogP2.65
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.20
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-pyridin-3-yl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-methyl-N-pyridin-3-yl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide (CID 50913514) is 2-methyl-N-pyridin-3-yl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-methyl-N-pyridin-3-yl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-methyl-N-pyridin-3-yl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide is Cc1nc(C(=O)Nc2cccnc2)c(C(F)(F)F)o1.
What is the InChIKey of 2-methyl-N-pyridin-3-yl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
The InChIKey is SSFQKFQRPKUWOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3N3O2/c1-6-16-8(9(19-6)11(12,13)14)10(18)17-7-3-2-4-15-5-7/h2-5H,1H3,(H,17,18).
What are the key properties of 2-methyl-N-pyridin-3-yl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
2-methyl-N-pyridin-3-yl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide has a molecular weight of 271.20 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-pyridin-3-yl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 50913514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).