6-(3-hydroxypropylamino)-3H-1,3-benzoxazol-2-one

C10H12N2O3 — CID 115216677

IUPAC6-(3-hydroxypropylamino)-3H-1,3-benzoxazol-2-one
SMILESO=c1[nH]c2ccc(NCCCO)cc2o1
InChIInChI=1S/C10H12N2O3/c13-5-1-4-11-7-2-3-8-9(6-7)15-10(14)12-8/h2-3,6,11,13H,1,4-5H2,(H,12,14)
InChIKeyBXLWVDGGRNBQOY-UHFFFAOYSA-N
MW208.22 g/mol
LogP0.92
Rot. Bonds4

About 6-(3-hydroxypropylamino)-3H-1,3-benzoxazol-2-one

6-(3-hydroxypropylamino)-3H-1,3-benzoxazol-2-one (PubChem CID 115216677) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is 6-(3-hydroxypropylamino)-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-(3-hydroxypropylamino)-3H-1,3-benzoxazol-2-one
PubChem CID115216677
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Name6-(3-hydroxypropylamino)-3H-1,3-benzoxazol-2-one
SMILESO=c1[nH]c2ccc(NCCCO)cc2o1
InChIInChI=1S/C10H12N2O3/c13-5-1-4-11-7-2-3-8-9(6-7)15-10(14)12-8/h2-3,6,11,13H,1,4-5H2,(H,12,14)
InChIKeyBXLWVDGGRNBQOY-UHFFFAOYSA-N
XLogP0.92
TPSA78.26 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-(4-aminopentylamino)-3H-1,3-benzoxazol-2-one
CID 115203629
6-(sulfanylmethylamino)-3H-1,3-benzoxazol-2-one
CID 115227664
2-hydroxy-N-(2-oxo-3H-1,3-benzoxazol-6-yl)acetamide
CID 83820376
N-(2-oxo-3H-1,3-benzoxazol-6-yl)-2-sulfanylacetamide
CID 115166967
6-[(1-aminocyclopropyl)methylamino]-3H-1,3-benzoxazol-2-one
CID 115256429
4-(methylamino)-N-(2-oxo-3H-1,3-benzoxazol-6-yl)butanamide
CID 110838149
5-(2-chloroethylamino)-3H-1,3-benzoxazol-2-one
CID 115214645
2-oxo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)propanamide
CID 115175381
3-chloro-N-(2-oxo-3H-1,3-benzoxazol-6-yl)propanamide
CID 11543243
1-(2-oxo-3H-1,3-benzoxazol-6-yl)-3-phenylthiourea
CID 34883375
5-(4-fluorophenyl)-5-oxo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)pentanamide
CID 110616402
1-(3-methylbutyl)-3-(2-oxo-3H-1,3-benzoxazol-6-yl)urea
CID 110411149

Frequently Asked Questions

What is the IUPAC name of 6-(3-hydroxypropylamino)-3H-1,3-benzoxazol-2-one?
The IUPAC name of 6-(3-hydroxypropylamino)-3H-1,3-benzoxazol-2-one (CID 115216677) is 6-(3-hydroxypropylamino)-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-(3-hydroxypropylamino)-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 6-(3-hydroxypropylamino)-3H-1,3-benzoxazol-2-one is O=c1[nH]c2ccc(NCCCO)cc2o1.
What is the InChIKey of 6-(3-hydroxypropylamino)-3H-1,3-benzoxazol-2-one?
The InChIKey is BXLWVDGGRNBQOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3/c13-5-1-4-11-7-2-3-8-9(6-7)15-10(14)12-8/h2-3,6,11,13H,1,4-5H2,(H,12,14).
What are the key properties of 6-(3-hydroxypropylamino)-3H-1,3-benzoxazol-2-one?
6-(3-hydroxypropylamino)-3H-1,3-benzoxazol-2-one has a molecular weight of 208.22 g/mol, XLogP of 0.92, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-hydroxypropylamino)-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 115216677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).