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

C14H19N3O3 — CID 115425410

IUPAC6-amino-5-[cyclopentyl(2-hydroxyethyl)amino]-3H-1,3-benzoxazol-2-one
SMILESNc1cc2oc(=O)[nH]c2cc1N(CCO)C1CCCC1
InChIInChI=1S/C14H19N3O3/c15-10-7-13-11(16-14(19)20-13)8-12(10)17(5-6-18)9-3-1-2-4-9/h7-9,18H,1-6,15H2,(H,16,19)
InChIKeyDBCDSDGOWUSJOC-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.44
Rot. Bonds4

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

6-amino-5-[cyclopentyl(2-hydroxyethyl)amino]-3H-1,3-benzoxazol-2-one (PubChem CID 115425410) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 6-amino-5-[cyclopentyl(2-hydroxyethyl)amino]-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-amino-5-[cyclopentyl(2-hydroxyethyl)amino]-3H-1,3-benzoxazol-2-one
PubChem CID115425410
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name6-amino-5-[cyclopentyl(2-hydroxyethyl)amino]-3H-1,3-benzoxazol-2-one
SMILESNc1cc2oc(=O)[nH]c2cc1N(CCO)C1CCCC1
InChIInChI=1S/C14H19N3O3/c15-10-7-13-11(16-14(19)20-13)8-12(10)17(5-6-18)9-3-1-2-4-9/h7-9,18H,1-6,15H2,(H,16,19)
InChIKeyDBCDSDGOWUSJOC-UHFFFAOYSA-N
XLogP1.44
TPSA95.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-amino-5-[cyclopropyl(2-methoxyethyl)amino]-3H-1,3-benzoxazol-2-one
CID 115425313
6-amino-5-[cyclopentyl(methyl)amino]-3H-1,3-benzoxazol-2-one
CID 115425161
2-(2-amino-N-cyclobutyl-5-fluoroanilino)ethanol
CID 102859536
5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-6-amino-3H-1,3-benzoxazol-2-one
CID 115558920
4-amino-3-[cyclohexyl(2-hydroxyethyl)amino]benzenesulfonamide
CID 82900365
2-(4-amino-N-cyclopentyl-2-iodoanilino)ethanol
CID 66095606
methyl 3-amino-4-[cyclobutyl(2-hydroxyethyl)amino]benzoate
CID 102868394
2-(2-amino-N-cyclopropyl-4-fluoro-5-methylanilino)ethanol
CID 103590173
3-[(6-amino-2-oxo-3H-1,3-benzoxazol-5-yl)-methylamino]-2-methylpropanenitrile
CID 115425404
6-amino-5-[3-(2-hydroxyethoxy)propylamino]-3H-1,3-benzoxazol-2-one
CID 106308875
3,7-dihydro-[1,3]oxazolo[5,4-f][1,3]benzoxazole-2,6-dione
CID 102579895
2-(2-amino-N-cyclobutyl-3,5-difluoroanilino)ethanol
CID 102859499

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-[cyclopentyl(2-hydroxyethyl)amino]-3H-1,3-benzoxazol-2-one?
The IUPAC name of 6-amino-5-[cyclopentyl(2-hydroxyethyl)amino]-3H-1,3-benzoxazol-2-one (CID 115425410) is 6-amino-5-[cyclopentyl(2-hydroxyethyl)amino]-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-amino-5-[cyclopentyl(2-hydroxyethyl)amino]-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 6-amino-5-[cyclopentyl(2-hydroxyethyl)amino]-3H-1,3-benzoxazol-2-one is Nc1cc2oc(=O)[nH]c2cc1N(CCO)C1CCCC1.
What is the InChIKey of 6-amino-5-[cyclopentyl(2-hydroxyethyl)amino]-3H-1,3-benzoxazol-2-one?
The InChIKey is DBCDSDGOWUSJOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c15-10-7-13-11(16-14(19)20-13)8-12(10)17(5-6-18)9-3-1-2-4-9/h7-9,18H,1-6,15H2,(H,16,19).
What are the key properties of 6-amino-5-[cyclopentyl(2-hydroxyethyl)amino]-3H-1,3-benzoxazol-2-one?
6-amino-5-[cyclopentyl(2-hydroxyethyl)amino]-3H-1,3-benzoxazol-2-one has a molecular weight of 277.32 g/mol, XLogP of 1.44, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-[cyclopentyl(2-hydroxyethyl)amino]-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 115425410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).