2,6-dimethyl-N-(3-propyl-1,2-oxazol-5-yl)benzamide

C15H18N2O2 — CID 13229305

IUPAC2,6-dimethyl-N-(3-propyl-1,2-oxazol-5-yl)benzamide
SMILESCCCc1cc(NC(=O)c2c(C)cccc2C)on1
InChIInChI=1S/C15H18N2O2/c1-4-6-12-9-13(19-17-12)16-15(18)14-10(2)7-5-8-11(14)3/h5,7-9H,4,6H2,1-3H3,(H,16,18)
InChIKeyKKYYXLPWUOWASR-UHFFFAOYSA-N
MW258.32 g/mol
LogP3.50
Rot. Bonds4

About 2,6-dimethyl-N-(3-propyl-1,2-oxazol-5-yl)benzamide

2,6-dimethyl-N-(3-propyl-1,2-oxazol-5-yl)benzamide (PubChem CID 13229305) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2,6-dimethyl-N-(3-propyl-1,2-oxazol-5-yl)benzamide.

Molecular Properties

Compound Name2,6-dimethyl-N-(3-propyl-1,2-oxazol-5-yl)benzamide
PubChem CID13229305
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name2,6-dimethyl-N-(3-propyl-1,2-oxazol-5-yl)benzamide
SMILESCCCc1cc(NC(=O)c2c(C)cccc2C)on1
InChIInChI=1S/C15H18N2O2/c1-4-6-12-9-13(19-17-12)16-15(18)14-10(2)7-5-8-11(14)3/h5,7-9H,4,6H2,1-3H3,(H,16,18)
InChIKeyKKYYXLPWUOWASR-UHFFFAOYSA-N
XLogP3.50
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-N-(3-propyl-1,2-oxazol-5-yl)benzamide?
The IUPAC name of 2,6-dimethyl-N-(3-propyl-1,2-oxazol-5-yl)benzamide (CID 13229305) is 2,6-dimethyl-N-(3-propyl-1,2-oxazol-5-yl)benzamide.
What is the SMILES notation for 2,6-dimethyl-N-(3-propyl-1,2-oxazol-5-yl)benzamide?
The canonical SMILES for 2,6-dimethyl-N-(3-propyl-1,2-oxazol-5-yl)benzamide is CCCc1cc(NC(=O)c2c(C)cccc2C)on1.
What is the InChIKey of 2,6-dimethyl-N-(3-propyl-1,2-oxazol-5-yl)benzamide?
The InChIKey is KKYYXLPWUOWASR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-4-6-12-9-13(19-17-12)16-15(18)14-10(2)7-5-8-11(14)3/h5,7-9H,4,6H2,1-3H3,(H,16,18).
What are the key properties of 2,6-dimethyl-N-(3-propyl-1,2-oxazol-5-yl)benzamide?
2,6-dimethyl-N-(3-propyl-1,2-oxazol-5-yl)benzamide has a molecular weight of 258.32 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-N-(3-propyl-1,2-oxazol-5-yl)benzamide is sourced from PubChem (CID 13229305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).