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N-(1,3-benzoxazol-6-ylmethyl)butanamide

C12H14N2O2 — CID 110784925

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-(1,3-benzoxazol-6-ylmethyl)butanamide
SMILESCCCC(=O)NCc1ccc2ncoc2c1
InChIInChI=1S/C12H14N2O2/c1-2-3-12(15)13-7-9-4-5-10-11(6-9)16-8-14-10/h4-6,8H,2-3,7H2,1H3,(H,13,15)
InChIKeyUWUQDOQWRNFYOL-UHFFFAOYSA-N
MW218.26 g/mol
LogP2.24
Rot. Bonds4

About N-(1,3-benzoxazol-6-ylmethyl)butanamide

N-(1,3-benzoxazol-6-ylmethyl)butanamide (PubChem CID 110784925) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is N-(1,3-benzoxazol-6-ylmethyl)butanamide.

Molecular Properties

Compound NameN-(1,3-benzoxazol-6-ylmethyl)butanamide
PubChem CID110784925
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC NameN-(1,3-benzoxazol-6-ylmethyl)butanamide
SMILESCCCC(=O)NCc1ccc2ncoc2c1
InChIInChI=1S/C12H14N2O2/c1-2-3-12(15)13-7-9-4-5-10-11(6-9)16-8-14-10/h4-6,8H,2-3,7H2,1H3,(H,13,15)
InChIKeyUWUQDOQWRNFYOL-UHFFFAOYSA-N
XLogP2.24
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzoxazol-6-ylmethyl)butanamide?
The IUPAC name of N-(1,3-benzoxazol-6-ylmethyl)butanamide (CID 110784925) is N-(1,3-benzoxazol-6-ylmethyl)butanamide.
What is the SMILES notation for N-(1,3-benzoxazol-6-ylmethyl)butanamide?
The canonical SMILES for N-(1,3-benzoxazol-6-ylmethyl)butanamide is CCCC(=O)NCc1ccc2ncoc2c1.
What is the InChIKey of N-(1,3-benzoxazol-6-ylmethyl)butanamide?
The InChIKey is UWUQDOQWRNFYOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-2-3-12(15)13-7-9-4-5-10-11(6-9)16-8-14-10/h4-6,8H,2-3,7H2,1H3,(H,13,15).
What are the key properties of N-(1,3-benzoxazol-6-ylmethyl)butanamide?
N-(1,3-benzoxazol-6-ylmethyl)butanamide has a molecular weight of 218.26 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzoxazol-6-ylmethyl)butanamide is sourced from PubChem (CID 110784925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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