6-amino-5-[[2-(hydroxymethyl)cyclopentyl]amino]-3H-1,3-benzoxazol-2-one

C13H17N3O3 — CID 106359006

IUPAC6-amino-5-[[2-(hydroxymethyl)cyclopentyl]amino]-3H-1,3-benzoxazol-2-one
SMILESNc1cc2oc(=O)[nH]c2cc1NC1CCCC1CO
InChIInChI=1S/C13H17N3O3/c14-8-4-12-11(16-13(18)19-12)5-10(8)15-9-3-1-2-7(9)6-17/h4-5,7,9,15,17H,1-3,6,14H2,(H,16,18)
InChIKeyIEAGIJOHKNPDFH-UHFFFAOYSA-N
MW263.30 g/mol
LogP1.28
Rot. Bonds3

About 6-amino-5-[[2-(hydroxymethyl)cyclopentyl]amino]-3H-1,3-benzoxazol-2-one

6-amino-5-[[2-(hydroxymethyl)cyclopentyl]amino]-3H-1,3-benzoxazol-2-one (PubChem CID 106359006) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 6-amino-5-[[2-(hydroxymethyl)cyclopentyl]amino]-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-amino-5-[[2-(hydroxymethyl)cyclopentyl]amino]-3H-1,3-benzoxazol-2-one
PubChem CID106359006
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name6-amino-5-[[2-(hydroxymethyl)cyclopentyl]amino]-3H-1,3-benzoxazol-2-one
SMILESNc1cc2oc(=O)[nH]c2cc1NC1CCCC1CO
InChIInChI=1S/C13H17N3O3/c14-8-4-12-11(16-13(18)19-12)5-10(8)15-9-3-1-2-7(9)6-17/h4-5,7,9,15,17H,1-3,6,14H2,(H,16,18)
InChIKeyIEAGIJOHKNPDFH-UHFFFAOYSA-N
XLogP1.28
TPSA104.28 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 51.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-amino-5-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-3H-1,3-benzoxazol-2-one
CID 115425376
6-amino-7-[[2-(hydroxymethyl)cyclopentyl]amino]-3,4-dihydro-1H-quinolin-2-one
CID 106358997
6-amino-5-[(1-propylpiperidin-4-yl)amino]-3H-1,3-benzoxazol-2-one
CID 115425364
6-amino-7-[[2-(hydroxymethyl)cyclohexyl]amino]-3H-quinazolin-4-one
CID 136746805
6-amino-5-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-3H-1,3-benzoxazol-2-one
CID 115425546
6-amino-5-[cyclopentyl(2-hydroxyethyl)amino]-3H-1,3-benzoxazol-2-one
CID 115425410
6-amino-5-(propylamino)-3H-1,3-benzoxazol-2-one
CID 115425024
[2-(2-amino-5-chloro-4-fluoroanilino)cyclohexyl]methanol
CID 106359102
2-[(6-amino-2-oxo-3H-1,3-benzoxazol-5-yl)amino]ethylurea
CID 83116004
3-amino-4-[[2-(hydroxymethyl)cyclopentyl]amino]-N,N-dimethylbenzamide
CID 106358993
[2-(2-amino-5-methoxyanilino)cyclopentyl]methanol
CID 114178402
4-amino-2-[[2-(hydroxymethyl)cyclopentyl]amino]-N-methylbenzamide
CID 106358913

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-[[2-(hydroxymethyl)cyclopentyl]amino]-3H-1,3-benzoxazol-2-one?
The IUPAC name of 6-amino-5-[[2-(hydroxymethyl)cyclopentyl]amino]-3H-1,3-benzoxazol-2-one (CID 106359006) is 6-amino-5-[[2-(hydroxymethyl)cyclopentyl]amino]-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-amino-5-[[2-(hydroxymethyl)cyclopentyl]amino]-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 6-amino-5-[[2-(hydroxymethyl)cyclopentyl]amino]-3H-1,3-benzoxazol-2-one is Nc1cc2oc(=O)[nH]c2cc1NC1CCCC1CO.
What is the InChIKey of 6-amino-5-[[2-(hydroxymethyl)cyclopentyl]amino]-3H-1,3-benzoxazol-2-one?
The InChIKey is IEAGIJOHKNPDFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c14-8-4-12-11(16-13(18)19-12)5-10(8)15-9-3-1-2-7(9)6-17/h4-5,7,9,15,17H,1-3,6,14H2,(H,16,18).
What are the key properties of 6-amino-5-[[2-(hydroxymethyl)cyclopentyl]amino]-3H-1,3-benzoxazol-2-one?
6-amino-5-[[2-(hydroxymethyl)cyclopentyl]amino]-3H-1,3-benzoxazol-2-one has a molecular weight of 263.30 g/mol, XLogP of 1.28, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-[[2-(hydroxymethyl)cyclopentyl]amino]-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 106359006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).