5-[(2-amino-3-hydroxypropyl)amino]-3H-1,3-benzoxazol-2-one

C10H13N3O3 — CID 115120328

IUPAC5-[(2-amino-3-hydroxypropyl)amino]-3H-1,3-benzoxazol-2-one
SMILESNC(CO)CNc1ccc2oc(=O)[nH]c2c1
InChIInChI=1S/C10H13N3O3/c11-6(5-14)4-12-7-1-2-9-8(3-7)13-10(15)16-9/h1-3,6,12,14H,4-5,11H2,(H,13,15)
InChIKeyRBDVEHNQFCSGTE-UHFFFAOYSA-N
MW223.23 g/mol
LogP-0.15
Rot. Bonds4

About 5-[(2-amino-3-hydroxypropyl)amino]-3H-1,3-benzoxazol-2-one

5-[(2-amino-3-hydroxypropyl)amino]-3H-1,3-benzoxazol-2-one (PubChem CID 115120328) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is 5-[(2-amino-3-hydroxypropyl)amino]-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name5-[(2-amino-3-hydroxypropyl)amino]-3H-1,3-benzoxazol-2-one
PubChem CID115120328
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Name5-[(2-amino-3-hydroxypropyl)amino]-3H-1,3-benzoxazol-2-one
SMILESNC(CO)CNc1ccc2oc(=O)[nH]c2c1
InChIInChI=1S/C10H13N3O3/c11-6(5-14)4-12-7-1-2-9-8(3-7)13-10(15)16-9/h1-3,6,12,14H,4-5,11H2,(H,13,15)
InChIKeyRBDVEHNQFCSGTE-UHFFFAOYSA-N
XLogP-0.15
TPSA104.28 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 5-0.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Launch Full Analysis

Related Compounds

3-hydroxy-4-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]butanoic acid
CID 115122893
5-[(2-hydroxy-2-methylpropyl)amino]-3H-1,3-benzoxazol-2-one
CID 83822765
5-(2-chloroethylamino)-3H-1,3-benzoxazol-2-one
CID 115214645
5-[(1-amino-2-methylpropan-2-yl)amino]-3H-1,3-benzoxazol-2-one
CID 115131689
2-(hydroxymethyl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)butanamide
CID 115186381
(2R)-2-amino-N-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide
CID 78972326
5-[(4-amino-2-methylbutan-2-yl)amino]-3H-1,3-benzoxazol-2-one
CID 115134489
5-[(4-fluorophenyl)methylamino]-3H-1,3-benzoxazol-2-one
CID 43741452
5-(1-aminopropan-2-ylamino)-3H-1,3-benzoxazol-2-one
CID 103388877
5-[(3,5-difluorophenyl)methylamino]-3H-1,3-benzoxazol-2-one
CID 99793337
2-amino-4-oxo-4-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]butanoic acid
CID 115180967
5-[(2,4,6-trimethylphenyl)methylamino]-3H-1,3-benzoxazol-2-one
CID 43741465

Frequently Asked Questions

What is the IUPAC name of 5-[(2-amino-3-hydroxypropyl)amino]-3H-1,3-benzoxazol-2-one?
The IUPAC name of 5-[(2-amino-3-hydroxypropyl)amino]-3H-1,3-benzoxazol-2-one (CID 115120328) is 5-[(2-amino-3-hydroxypropyl)amino]-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 5-[(2-amino-3-hydroxypropyl)amino]-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 5-[(2-amino-3-hydroxypropyl)amino]-3H-1,3-benzoxazol-2-one is NC(CO)CNc1ccc2oc(=O)[nH]c2c1.
What is the InChIKey of 5-[(2-amino-3-hydroxypropyl)amino]-3H-1,3-benzoxazol-2-one?
The InChIKey is RBDVEHNQFCSGTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3/c11-6(5-14)4-12-7-1-2-9-8(3-7)13-10(15)16-9/h1-3,6,12,14H,4-5,11H2,(H,13,15).
What are the key properties of 5-[(2-amino-3-hydroxypropyl)amino]-3H-1,3-benzoxazol-2-one?
5-[(2-amino-3-hydroxypropyl)amino]-3H-1,3-benzoxazol-2-one has a molecular weight of 223.23 g/mol, XLogP of -0.15, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-amino-3-hydroxypropyl)amino]-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 115120328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).