N-[3-(2-methyl-1,3-benzoxazol-7-yl)propyl]butanamide

C15H20N2O2 — CID 10038243

IUPACN-[3-(2-methyl-1,3-benzoxazol-7-yl)propyl]butanamide
SMILESCCCC(=O)NCCCc1cccc2nc(C)oc12
InChIInChI=1S/C15H20N2O2/c1-3-6-14(18)16-10-5-8-12-7-4-9-13-15(12)19-11(2)17-13/h4,7,9H,3,5-6,8,10H2,1-2H3,(H,16,18)
InChIKeyQEIZVISQSVFFDI-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.99
Rot. Bonds6

About N-[3-(2-methyl-1,3-benzoxazol-7-yl)propyl]butanamide

N-[3-(2-methyl-1,3-benzoxazol-7-yl)propyl]butanamide (PubChem CID 10038243) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is N-[3-(2-methyl-1,3-benzoxazol-7-yl)propyl]butanamide.

Molecular Properties

Compound NameN-[3-(2-methyl-1,3-benzoxazol-7-yl)propyl]butanamide
PubChem CID10038243
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC NameN-[3-(2-methyl-1,3-benzoxazol-7-yl)propyl]butanamide
SMILESCCCC(=O)NCCCc1cccc2nc(C)oc12
InChIInChI=1S/C15H20N2O2/c1-3-6-14(18)16-10-5-8-12-7-4-9-13-15(12)19-11(2)17-13/h4,7,9H,3,5-6,8,10H2,1-2H3,(H,16,18)
InChIKeyQEIZVISQSVFFDI-UHFFFAOYSA-N
XLogP2.99
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methyl-1,3-benzoxazol-7-yl)propyl]butanamide?
The IUPAC name of N-[3-(2-methyl-1,3-benzoxazol-7-yl)propyl]butanamide (CID 10038243) is N-[3-(2-methyl-1,3-benzoxazol-7-yl)propyl]butanamide.
What is the SMILES notation for N-[3-(2-methyl-1,3-benzoxazol-7-yl)propyl]butanamide?
The canonical SMILES for N-[3-(2-methyl-1,3-benzoxazol-7-yl)propyl]butanamide is CCCC(=O)NCCCc1cccc2nc(C)oc12.
What is the InChIKey of N-[3-(2-methyl-1,3-benzoxazol-7-yl)propyl]butanamide?
The InChIKey is QEIZVISQSVFFDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-3-6-14(18)16-10-5-8-12-7-4-9-13-15(12)19-11(2)17-13/h4,7,9H,3,5-6,8,10H2,1-2H3,(H,16,18).
What are the key properties of N-[3-(2-methyl-1,3-benzoxazol-7-yl)propyl]butanamide?
N-[3-(2-methyl-1,3-benzoxazol-7-yl)propyl]butanamide has a molecular weight of 260.34 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methyl-1,3-benzoxazol-7-yl)propyl]butanamide is sourced from PubChem (CID 10038243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).