N-(4-hydroxypentyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide

C14H18N2O4 — CID 107299698

IUPACN-(4-hydroxypentyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
SMILESCC(O)CCCNC(=O)Cn1c(=O)oc2ccccc21
InChIInChI=1S/C14H18N2O4/c1-10(17)5-4-8-15-13(18)9-16-11-6-2-3-7-12(11)20-14(16)19/h2-3,6-7,10,17H,4-5,8-9H2,1H3,(H,15,18)
InChIKeyNKCIWQUTOHNDCS-UHFFFAOYSA-N
MW278.31 g/mol
LogP0.87
Rot. Bonds6

About N-(4-hydroxypentyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide

N-(4-hydroxypentyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide (PubChem CID 107299698) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is N-(4-hydroxypentyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide.

Molecular Properties

Compound NameN-(4-hydroxypentyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
PubChem CID107299698
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC NameN-(4-hydroxypentyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
SMILESCC(O)CCCNC(=O)Cn1c(=O)oc2ccccc21
InChIInChI=1S/C14H18N2O4/c1-10(17)5-4-8-15-13(18)9-16-11-6-2-3-7-12(11)20-14(16)19/h2-3,6-7,10,17H,4-5,8-9H2,1H3,(H,15,18)
InChIKeyNKCIWQUTOHNDCS-UHFFFAOYSA-N
XLogP0.87
TPSA84.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 4808042
N-[2-[di(propan-2-yl)amino]ethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 46522148
N-(2-methoxyethyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 3580508
2-(2-oxo-1,3-benzoxazol-3-yl)-N-propan-2-ylacetamide
CID 4051540
2-methyl-3-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]propanoic acid
CID 62676565
N-[3-[benzyl(methyl)amino]propyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 4244209
N-(2-ethylbutyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 115612682
N-heptan-2-yl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 46515889
N-(2-ethylhexyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 74711303
N-(4-hydroxypentyl)-2-(2-methylindol-1-yl)acetamide
CID 107299993
N-[3-(1,2-oxazol-4-yl)propyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 91814413
2-(2-oxo-1,3-benzoxazol-3-yl)-N-(4-phenylbutan-2-yl)acetamide
CID 16606244

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxypentyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The IUPAC name of N-(4-hydroxypentyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide (CID 107299698) is N-(4-hydroxypentyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide.
What is the SMILES notation for N-(4-hydroxypentyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The canonical SMILES for N-(4-hydroxypentyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide is CC(O)CCCNC(=O)Cn1c(=O)oc2ccccc21.
What is the InChIKey of N-(4-hydroxypentyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The InChIKey is NKCIWQUTOHNDCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-10(17)5-4-8-15-13(18)9-16-11-6-2-3-7-12(11)20-14(16)19/h2-3,6-7,10,17H,4-5,8-9H2,1H3,(H,15,18).
What are the key properties of N-(4-hydroxypentyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
N-(4-hydroxypentyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide has a molecular weight of 278.31 g/mol, XLogP of 0.87, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxypentyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide is sourced from PubChem (CID 107299698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).