4-amino-3-(3-hydroxypropyl)-1,3-benzoxazol-2-one

C10H12N2O3 — CID 82345373

IUPAC4-amino-3-(3-hydroxypropyl)-1,3-benzoxazol-2-one
SMILESNc1cccc2oc(=O)n(CCCO)c12
InChIInChI=1S/C10H12N2O3/c11-7-3-1-4-8-9(7)12(5-2-6-13)10(14)15-8/h1,3-4,13H,2,5-6,11H2
InChIKeyBHTHEXFSRKTPML-UHFFFAOYSA-N
MW208.22 g/mol
LogP0.56
Rot. Bonds3

About 4-amino-3-(3-hydroxypropyl)-1,3-benzoxazol-2-one

4-amino-3-(3-hydroxypropyl)-1,3-benzoxazol-2-one (PubChem CID 82345373) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is 4-amino-3-(3-hydroxypropyl)-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name4-amino-3-(3-hydroxypropyl)-1,3-benzoxazol-2-one
PubChem CID82345373
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Name4-amino-3-(3-hydroxypropyl)-1,3-benzoxazol-2-one
SMILESNc1cccc2oc(=O)n(CCCO)c12
InChIInChI=1S/C10H12N2O3/c11-7-3-1-4-8-9(7)12(5-2-6-13)10(14)15-8/h1,3-4,13H,2,5-6,11H2
InChIKeyBHTHEXFSRKTPML-UHFFFAOYSA-N
XLogP0.56
TPSA81.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-amino-3-butyl-1,3-benzoxazol-2-one
CID 82345336
4-amino-3-(3-phenoxypropyl)-1,3-benzoxazol-2-one
CID 82345355
methyl 2-(4-amino-2-oxo-1,3-benzoxazol-3-yl)acetate
CID 82345280
2-ethoxyethyl 2-(4-amino-2-oxo-1,3-benzoxazol-3-yl)acetate
CID 82345282
6-amino-3-(5-hydroxypentyl)-1,3-benzoxazol-2-one
CID 55053294
3-[2-(3-hydroxypropylsulfanyl)ethyl]-1,3-benzoxazol-2-one
CID 66114976
3-(3-hydroxypropyl)-6-methyl-1,3-benzoxazol-2-one
CID 82344647
butyl 2-(4-amino-2-oxo-1,3-benzoxazol-3-yl)propanoate
CID 82345287
methyl 2-(4-amino-2-oxo-1,3-benzoxazol-3-yl)propanoate
CID 82345286
propan-2-yl 2-(4-amino-2-oxo-1,3-benzoxazol-3-yl)propanoate
CID 82345297
5-(2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl)pentanamide
CID 66921889
3-[3-(3-aminophenoxy)propyl]-1,3-benzoxazol-2-one
CID 43365775

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(3-hydroxypropyl)-1,3-benzoxazol-2-one?
The IUPAC name of 4-amino-3-(3-hydroxypropyl)-1,3-benzoxazol-2-one (CID 82345373) is 4-amino-3-(3-hydroxypropyl)-1,3-benzoxazol-2-one.
What is the SMILES notation for 4-amino-3-(3-hydroxypropyl)-1,3-benzoxazol-2-one?
The canonical SMILES for 4-amino-3-(3-hydroxypropyl)-1,3-benzoxazol-2-one is Nc1cccc2oc(=O)n(CCCO)c12.
What is the InChIKey of 4-amino-3-(3-hydroxypropyl)-1,3-benzoxazol-2-one?
The InChIKey is BHTHEXFSRKTPML-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3/c11-7-3-1-4-8-9(7)12(5-2-6-13)10(14)15-8/h1,3-4,13H,2,5-6,11H2.
What are the key properties of 4-amino-3-(3-hydroxypropyl)-1,3-benzoxazol-2-one?
4-amino-3-(3-hydroxypropyl)-1,3-benzoxazol-2-one has a molecular weight of 208.22 g/mol, XLogP of 0.56, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(3-hydroxypropyl)-1,3-benzoxazol-2-one is sourced from PubChem (CID 82345373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).