N-(1,3-benzoxazol-6-ylmethyl)-4-hydroxybutanamide

C12H14N2O3 — CID 115163001

IUPACN-(1,3-benzoxazol-6-ylmethyl)-4-hydroxybutanamide
SMILESO=C(CCCO)NCc1ccc2ncoc2c1
InChIInChI=1S/C12H14N2O3/c15-5-1-2-12(16)13-7-9-3-4-10-11(6-9)17-8-14-10/h3-4,6,8,15H,1-2,5,7H2,(H,13,16)
InChIKeyVWILSYPTCBQTFD-UHFFFAOYSA-N
MW234.25 g/mol
LogP1.22
Rot. Bonds5

About N-(1,3-benzoxazol-6-ylmethyl)-4-hydroxybutanamide

N-(1,3-benzoxazol-6-ylmethyl)-4-hydroxybutanamide (PubChem CID 115163001) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is N-(1,3-benzoxazol-6-ylmethyl)-4-hydroxybutanamide.

Molecular Properties

Compound NameN-(1,3-benzoxazol-6-ylmethyl)-4-hydroxybutanamide
PubChem CID115163001
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC NameN-(1,3-benzoxazol-6-ylmethyl)-4-hydroxybutanamide
SMILESO=C(CCCO)NCc1ccc2ncoc2c1
InChIInChI=1S/C12H14N2O3/c15-5-1-2-12(16)13-7-9-3-4-10-11(6-9)17-8-14-10/h3-4,6,8,15H,1-2,5,7H2,(H,13,16)
InChIKeyVWILSYPTCBQTFD-UHFFFAOYSA-N
XLogP1.22
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzoxazol-6-ylmethyl)butanamide
CID 110784925
(1,3-benzoxazol-6-ylmethylamino)methanol
CID 115229031
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
2-(1,3-benzoxazol-6-ylmethylamino)acetaldehyde
CID 115222967
N-(1,3-benzodioxol-5-ylmethyl)-4-hydroxybutanamide
CID 2810954
1-(1,3-benzoxazol-6-yl)-N-(chloromethyl)methanamine
CID 115263067
18-hydroxy-N-[[4-[(18-hydroxyoctadecanoylamino)methyl]phenyl]methyl]octadecanamide
CID 101321590
4-(1,3-benzoxazol-6-ylmethyl)benzoic acid
CID 116927202
1-[2-(1,3-benzoxazol-6-yl)ethyl]-3-methylurea
CID 115169389

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzoxazol-6-ylmethyl)-4-hydroxybutanamide?
The IUPAC name of N-(1,3-benzoxazol-6-ylmethyl)-4-hydroxybutanamide (CID 115163001) is N-(1,3-benzoxazol-6-ylmethyl)-4-hydroxybutanamide.
What is the SMILES notation for N-(1,3-benzoxazol-6-ylmethyl)-4-hydroxybutanamide?
The canonical SMILES for N-(1,3-benzoxazol-6-ylmethyl)-4-hydroxybutanamide is O=C(CCCO)NCc1ccc2ncoc2c1.
What is the InChIKey of N-(1,3-benzoxazol-6-ylmethyl)-4-hydroxybutanamide?
The InChIKey is VWILSYPTCBQTFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c15-5-1-2-12(16)13-7-9-3-4-10-11(6-9)17-8-14-10/h3-4,6,8,15H,1-2,5,7H2,(H,13,16).
What are the key properties of N-(1,3-benzoxazol-6-ylmethyl)-4-hydroxybutanamide?
N-(1,3-benzoxazol-6-ylmethyl)-4-hydroxybutanamide has a molecular weight of 234.25 g/mol, XLogP of 1.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzoxazol-6-ylmethyl)-4-hydroxybutanamide is sourced from PubChem (CID 115163001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).