N-(5-hydroxypentyl)-1,3-benzoxazole-5-carboxamide

C13H16N2O3 — CID 108795171

IUPACN-(5-hydroxypentyl)-1,3-benzoxazole-5-carboxamide
SMILESO=C(NCCCCCO)c1ccc2ocnc2c1
InChIInChI=1S/C13H16N2O3/c16-7-3-1-2-6-14-13(17)10-4-5-12-11(8-10)15-9-18-12/h4-5,8-9,16H,1-3,6-7H2,(H,14,17)
InChIKeyRIGITGWFSLJGDO-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.72
Rot. Bonds6

About N-(5-hydroxypentyl)-1,3-benzoxazole-5-carboxamide

N-(5-hydroxypentyl)-1,3-benzoxazole-5-carboxamide (PubChem CID 108795171) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is N-(5-hydroxypentyl)-1,3-benzoxazole-5-carboxamide.

Molecular Properties

Compound NameN-(5-hydroxypentyl)-1,3-benzoxazole-5-carboxamide
PubChem CID108795171
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC NameN-(5-hydroxypentyl)-1,3-benzoxazole-5-carboxamide
SMILESO=C(NCCCCCO)c1ccc2ocnc2c1
InChIInChI=1S/C13H16N2O3/c16-7-3-1-2-6-14-13(17)10-4-5-12-11(8-10)15-9-18-12/h4-5,8-9,16H,1-3,6-7H2,(H,14,17)
InChIKeyRIGITGWFSLJGDO-UHFFFAOYSA-N
XLogP1.72
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(6-aminohexyl)-1,3-benzoxazole-5-carboxamide
CID 108795126
N-(5-hydroxypentyl)-4-(1,3,4-oxadiazol-2-yl)benzamide
CID 107318774
4-chloro-N-(5-hydroxypentyl)benzamide
CID 107318437
4-fluoro-N-(5-hydroxypentyl)benzamide
CID 107317186
3,4-diethoxy-N-(5-hydroxypentyl)benzamide
CID 107319057
N-[2-(1,3-benzoxazol-5-yl)ethyl]-3-fluorobenzamide
CID 110707351
3-bromo-N-(5-hydroxypentyl)-4-methylbenzamide
CID 107317891
N-(4-fluorophenyl)-1,3-benzoxazole-5-carboxamide
CID 110388187
1-ethyl-N-(6-hydroxyhexyl)benzotriazole-5-carboxamide
CID 103918979
N-(5-hydroxypentyl)-5-methylfuran-3-carboxamide
CID 107319220
4-amino-3-bromo-N-(6-hydroxyhexyl)benzamide
CID 114007895
4-fluoro-N-(5-hydroxypentyl)-3-methylbenzamide
CID 107317159

Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxypentyl)-1,3-benzoxazole-5-carboxamide?
The IUPAC name of N-(5-hydroxypentyl)-1,3-benzoxazole-5-carboxamide (CID 108795171) is N-(5-hydroxypentyl)-1,3-benzoxazole-5-carboxamide.
What is the SMILES notation for N-(5-hydroxypentyl)-1,3-benzoxazole-5-carboxamide?
The canonical SMILES for N-(5-hydroxypentyl)-1,3-benzoxazole-5-carboxamide is O=C(NCCCCCO)c1ccc2ocnc2c1.
What is the InChIKey of N-(5-hydroxypentyl)-1,3-benzoxazole-5-carboxamide?
The InChIKey is RIGITGWFSLJGDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c16-7-3-1-2-6-14-13(17)10-4-5-12-11(8-10)15-9-18-12/h4-5,8-9,16H,1-3,6-7H2,(H,14,17).
What are the key properties of N-(5-hydroxypentyl)-1,3-benzoxazole-5-carboxamide?
N-(5-hydroxypentyl)-1,3-benzoxazole-5-carboxamide has a molecular weight of 248.28 g/mol, XLogP of 1.72, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxypentyl)-1,3-benzoxazole-5-carboxamide is sourced from PubChem (CID 108795171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).