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

C15H17FN2O2 — CID 21323670

IUPACN-butyl-4-fluoro-N-(4-methyl-1,3-oxazol-2-yl)benzamide
SMILESCCCCN(C(=O)c1ccc(F)cc1)c1nc(C)co1
InChIInChI=1S/C15H17FN2O2/c1-3-4-9-18(15-17-11(2)10-20-15)14(19)12-5-7-13(16)8-6-12/h5-8,10H,3-4,9H2,1-2H3
InChIKeySSANQODGNDQNPI-UHFFFAOYSA-N
MW276.31 g/mol
LogP3.57
Rot. Bonds5

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

N-butyl-4-fluoro-N-(4-methyl-1,3-oxazol-2-yl)benzamide (PubChem CID 21323670) has the molecular formula C15H17FN2O2 and a molecular weight of 276.31 g/mol. Its IUPAC name is N-butyl-4-fluoro-N-(4-methyl-1,3-oxazol-2-yl)benzamide.

Molecular Properties

Compound NameN-butyl-4-fluoro-N-(4-methyl-1,3-oxazol-2-yl)benzamide
PubChem CID21323670
Molecular FormulaC15H17FN2O2
Molecular Weight276.31 g/mol
Exact Mass276.13
IUPAC NameN-butyl-4-fluoro-N-(4-methyl-1,3-oxazol-2-yl)benzamide
SMILESCCCCN(C(=O)c1ccc(F)cc1)c1nc(C)co1
InChIInChI=1S/C15H17FN2O2/c1-3-4-9-18(15-17-11(2)10-20-15)14(19)12-5-7-13(16)8-6-12/h5-8,10H,3-4,9H2,1-2H3
InChIKeySSANQODGNDQNPI-UHFFFAOYSA-N
XLogP3.57
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-butyl-4-fluoro-N-(4-methyl-1,3-oxazol-2-yl)benzamide?
The IUPAC name of N-butyl-4-fluoro-N-(4-methyl-1,3-oxazol-2-yl)benzamide (CID 21323670) is N-butyl-4-fluoro-N-(4-methyl-1,3-oxazol-2-yl)benzamide.
What is the SMILES notation for N-butyl-4-fluoro-N-(4-methyl-1,3-oxazol-2-yl)benzamide?
The canonical SMILES for N-butyl-4-fluoro-N-(4-methyl-1,3-oxazol-2-yl)benzamide is CCCCN(C(=O)c1ccc(F)cc1)c1nc(C)co1.
What is the InChIKey of N-butyl-4-fluoro-N-(4-methyl-1,3-oxazol-2-yl)benzamide?
The InChIKey is SSANQODGNDQNPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2/c1-3-4-9-18(15-17-11(2)10-20-15)14(19)12-5-7-13(16)8-6-12/h5-8,10H,3-4,9H2,1-2H3.
What are the key properties of N-butyl-4-fluoro-N-(4-methyl-1,3-oxazol-2-yl)benzamide?
N-butyl-4-fluoro-N-(4-methyl-1,3-oxazol-2-yl)benzamide has a molecular weight of 276.31 g/mol, XLogP of 3.57, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-fluoro-N-(4-methyl-1,3-oxazol-2-yl)benzamide is sourced from PubChem (CID 21323670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).