6-amino-5-[3-(diethylamino)propylamino]-3H-1,3-benzoxazol-2-one

C14H22N4O2 — CID 115425057

IUPAC6-amino-5-[3-(diethylamino)propylamino]-3H-1,3-benzoxazol-2-one
SMILESCCN(CC)CCCNc1cc2[nH]c(=O)oc2cc1N
InChIInChI=1S/C14H22N4O2/c1-3-18(4-2)7-5-6-16-11-9-12-13(8-10(11)15)20-14(19)17-12/h8-9,16H,3-7,15H2,1-2H3,(H,17,19)
InChIKeyWSXDONOCZVACOR-UHFFFAOYSA-N
MW278.36 g/mol
LogP1.85
Rot. Bonds7

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

6-amino-5-[3-(diethylamino)propylamino]-3H-1,3-benzoxazol-2-one (PubChem CID 115425057) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 6-amino-5-[3-(diethylamino)propylamino]-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-amino-5-[3-(diethylamino)propylamino]-3H-1,3-benzoxazol-2-one
PubChem CID115425057
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name6-amino-5-[3-(diethylamino)propylamino]-3H-1,3-benzoxazol-2-one
SMILESCCN(CC)CCCNc1cc2[nH]c(=O)oc2cc1N
InChIInChI=1S/C14H22N4O2/c1-3-18(4-2)7-5-6-16-11-9-12-13(8-10(11)15)20-14(19)17-12/h8-9,16H,3-7,15H2,1-2H3,(H,17,19)
InChIKeyWSXDONOCZVACOR-UHFFFAOYSA-N
XLogP1.85
TPSA87.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-amino-5-[3-(diethylamino)propylamino]-3H-1,3-benzoxazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-amino-5-(propylamino)-3H-1,3-benzoxazol-2-one
CID 115425024
6-amino-5-[3-(2-hydroxyethoxy)propylamino]-3H-1,3-benzoxazol-2-one
CID 106308875
2-[(6-amino-2-oxo-3H-1,3-benzoxazol-5-yl)amino]ethylurea
CID 83116004
6-amino-5-[(3-hydroxy-4-methoxybutyl)amino]-3H-1,3-benzoxazol-2-one
CID 106243226
6-amino-5-[2-(1-methylpyrazol-3-yl)ethylamino]-3H-1,3-benzoxazol-2-one
CID 106104023
6-amino-5-(hexan-2-ylamino)-3H-1,3-benzoxazol-2-one
CID 113307409
6-amino-5-[(4-bromophenyl)methylamino]-3H-1,3-benzoxazol-2-one
CID 115425138
6-amino-5-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]-3H-1,3-benzoxazol-2-one
CID 115425365
6-amino-5-[[3-(hydroxymethyl)phenyl]methylamino]-3H-1,3-benzoxazol-2-one
CID 107231797
6-amino-5-(1H-pyrazol-5-ylmethylamino)-3H-1,3-benzoxazol-2-one
CID 113307392
4-chloro-2-N-[3-(diethylamino)propyl]benzene-1,2-diamine
CID 113315575
6-amino-5-(4-ethoxyanilino)-3H-1,3-benzoxazol-2-one
CID 115425085

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-[3-(diethylamino)propylamino]-3H-1,3-benzoxazol-2-one?
The IUPAC name of 6-amino-5-[3-(diethylamino)propylamino]-3H-1,3-benzoxazol-2-one (CID 115425057) is 6-amino-5-[3-(diethylamino)propylamino]-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-amino-5-[3-(diethylamino)propylamino]-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 6-amino-5-[3-(diethylamino)propylamino]-3H-1,3-benzoxazol-2-one is CCN(CC)CCCNc1cc2[nH]c(=O)oc2cc1N.
What is the InChIKey of 6-amino-5-[3-(diethylamino)propylamino]-3H-1,3-benzoxazol-2-one?
The InChIKey is WSXDONOCZVACOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-3-18(4-2)7-5-6-16-11-9-12-13(8-10(11)15)20-14(19)17-12/h8-9,16H,3-7,15H2,1-2H3,(H,17,19).
What are the key properties of 6-amino-5-[3-(diethylamino)propylamino]-3H-1,3-benzoxazol-2-one?
6-amino-5-[3-(diethylamino)propylamino]-3H-1,3-benzoxazol-2-one has a molecular weight of 278.36 g/mol, XLogP of 1.85, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-[3-(diethylamino)propylamino]-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 115425057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).