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

C12H14N2O2 — CID 110784925

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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Related Compounds

N-(1,3-benzoxazol-6-ylmethyl)-4-hydroxybutanamide
CID 115163001
N-(1,3-benzoxazol-6-yl)butanamide
CID 110728829
1-(1,3-benzoxazol-6-ylmethyl)-3-tert-butylurea
CID 110775404
4-[2-(1,3-benzoxazol-6-yl)ethylamino]-4-oxobutanoic acid
CID 115163729
N-(1,3-benzoxazol-6-ylmethyl)-2-(1H-indol-3-yl)acetamide
CID 110794606
2-(1,3-benzoxazol-6-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 110771768
(1,3-benzoxazol-6-ylmethylamino)methanol
CID 115229031
N'-(1,3-benzoxazol-6-ylmethyl)-N-ethylethane-1,2-diamine
CID 115205865
1-[2-(1,3-benzoxazol-6-yl)ethyl]-3-methylurea
CID 115169389
N-[2-(1,3-benzoxazol-6-yl)ethyl]-3-methylbutanamide
CID 110790910
1-(1,3-benzoxazol-6-yl)-N-(chloromethyl)methanamine
CID 115263067
N-[2-(1,3-benzoxazol-6-yl)ethyl]-2-(4-ethoxyphenyl)acetamide
CID 110796037

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).