N-butyl-N-(4-methyl-1,3-oxazol-2-yl)-3-(trifluoromethyl)benzamide

C16H17F3N2O2 — CID 21323663

IUPACN-butyl-N-(4-methyl-1,3-oxazol-2-yl)-3-(trifluoromethyl)benzamide
SMILESCCCCN(C(=O)c1cccc(C(F)(F)F)c1)c1nc(C)co1
InChIInChI=1S/C16H17F3N2O2/c1-3-4-8-21(15-20-11(2)10-23-15)14(22)12-6-5-7-13(9-12)16(17,18)19/h5-7,9-10H,3-4,8H2,1-2H3
InChIKeyKWPMZNUVHZKWIT-UHFFFAOYSA-N
MW326.32 g/mol
LogP4.45
Rot. Bonds5

About N-butyl-N-(4-methyl-1,3-oxazol-2-yl)-3-(trifluoromethyl)benzamide

N-butyl-N-(4-methyl-1,3-oxazol-2-yl)-3-(trifluoromethyl)benzamide (PubChem CID 21323663) has the molecular formula C16H17F3N2O2 and a molecular weight of 326.32 g/mol. Its IUPAC name is N-butyl-N-(4-methyl-1,3-oxazol-2-yl)-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-butyl-N-(4-methyl-1,3-oxazol-2-yl)-3-(trifluoromethyl)benzamide
PubChem CID21323663
Molecular FormulaC16H17F3N2O2
Molecular Weight326.32 g/mol
Exact Mass326.12
IUPAC NameN-butyl-N-(4-methyl-1,3-oxazol-2-yl)-3-(trifluoromethyl)benzamide
SMILESCCCCN(C(=O)c1cccc(C(F)(F)F)c1)c1nc(C)co1
InChIInChI=1S/C16H17F3N2O2/c1-3-4-8-21(15-20-11(2)10-23-15)14(22)12-6-5-7-13(9-12)16(17,18)19/h5-7,9-10H,3-4,8H2,1-2H3
InChIKeyKWPMZNUVHZKWIT-UHFFFAOYSA-N
XLogP4.45
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.32
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(4-methyl-1,3-oxazol-2-yl)-3-(trifluoromethyl)benzamide?
The IUPAC name of N-butyl-N-(4-methyl-1,3-oxazol-2-yl)-3-(trifluoromethyl)benzamide (CID 21323663) is N-butyl-N-(4-methyl-1,3-oxazol-2-yl)-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-butyl-N-(4-methyl-1,3-oxazol-2-yl)-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-butyl-N-(4-methyl-1,3-oxazol-2-yl)-3-(trifluoromethyl)benzamide is CCCCN(C(=O)c1cccc(C(F)(F)F)c1)c1nc(C)co1.
What is the InChIKey of N-butyl-N-(4-methyl-1,3-oxazol-2-yl)-3-(trifluoromethyl)benzamide?
The InChIKey is KWPMZNUVHZKWIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N2O2/c1-3-4-8-21(15-20-11(2)10-23-15)14(22)12-6-5-7-13(9-12)16(17,18)19/h5-7,9-10H,3-4,8H2,1-2H3.
What are the key properties of N-butyl-N-(4-methyl-1,3-oxazol-2-yl)-3-(trifluoromethyl)benzamide?
N-butyl-N-(4-methyl-1,3-oxazol-2-yl)-3-(trifluoromethyl)benzamide has a molecular weight of 326.32 g/mol, XLogP of 4.45, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(4-methyl-1,3-oxazol-2-yl)-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 21323663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).