6-amino-5-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]-3H-1,3-benzoxazol-2-one

C15H24N4O2 — CID 115425365

IUPAC6-amino-5-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]-3H-1,3-benzoxazol-2-one
SMILESCC(C)CC(CN(C)C)Nc1cc2[nH]c(=O)oc2cc1N
InChIInChI=1S/C15H24N4O2/c1-9(2)5-10(8-19(3)4)17-12-7-13-14(6-11(12)16)21-15(20)18-13/h6-7,9-10,17H,5,8,16H2,1-4H3,(H,18,20)
InChIKeyRIPIUFMMIVGAFC-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.09
Rot. Bonds6

About 6-amino-5-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]-3H-1,3-benzoxazol-2-one

6-amino-5-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]-3H-1,3-benzoxazol-2-one (PubChem CID 115425365) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 6-amino-5-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-amino-5-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]-3H-1,3-benzoxazol-2-one
PubChem CID115425365
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name6-amino-5-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]-3H-1,3-benzoxazol-2-one
SMILESCC(C)CC(CN(C)C)Nc1cc2[nH]c(=O)oc2cc1N
InChIInChI=1S/C15H24N4O2/c1-9(2)5-10(8-19(3)4)17-12-7-13-14(6-11(12)16)21-15(20)18-13/h6-7,9-10,17H,5,8,16H2,1-4H3,(H,18,20)
InChIKeyRIPIUFMMIVGAFC-UHFFFAOYSA-N
XLogP2.09
TPSA87.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.09
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-(hexan-2-ylamino)-3H-1,3-benzoxazol-2-one
CID 113307409
6-amino-5-(1-phenylethylamino)-3H-1,3-benzoxazol-2-one
CID 115425038
6-amino-5-(propylamino)-3H-1,3-benzoxazol-2-one
CID 115425024
4-bromo-2-N-[1-(dimethylamino)-4-methylpentan-2-yl]-5-fluorobenzene-1,2-diamine
CID 116735685
6-amino-5-[1-(5-chlorothiophen-2-yl)ethylamino]-3H-1,3-benzoxazol-2-one
CID 115425325
6-amino-5-[(2-methyl-1-thiophen-2-ylpropyl)amino]-3H-1,3-benzoxazol-2-one
CID 115425366
6-amino-5-[3-(diethylamino)propylamino]-3H-1,3-benzoxazol-2-one
CID 115425057
6-amino-5-(3-methylbutoxy)-3H-1,3-benzoxazol-2-one
CID 113307460
6-amino-5-[(3-hydroxy-4-methoxybutyl)amino]-3H-1,3-benzoxazol-2-one
CID 106243226
3-[(6-amino-2-oxo-3H-1,3-benzoxazol-5-yl)-methylamino]-2-methylpropanenitrile
CID 115425404
6-amino-5-[2-(1-methylpyrazol-3-yl)ethylamino]-3H-1,3-benzoxazol-2-one
CID 106104023
6-amino-5-[butan-2-yl(ethyl)amino]-3H-1,3-benzoxazol-2-one
CID 113307371

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]-3H-1,3-benzoxazol-2-one?
The IUPAC name of 6-amino-5-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]-3H-1,3-benzoxazol-2-one (CID 115425365) is 6-amino-5-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-amino-5-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 6-amino-5-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]-3H-1,3-benzoxazol-2-one is CC(C)CC(CN(C)C)Nc1cc2[nH]c(=O)oc2cc1N.
What is the InChIKey of 6-amino-5-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]-3H-1,3-benzoxazol-2-one?
The InChIKey is RIPIUFMMIVGAFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-9(2)5-10(8-19(3)4)17-12-7-13-14(6-11(12)16)21-15(20)18-13/h6-7,9-10,17H,5,8,16H2,1-4H3,(H,18,20).
What are the key properties of 6-amino-5-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]-3H-1,3-benzoxazol-2-one?
6-amino-5-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]-3H-1,3-benzoxazol-2-one has a molecular weight of 292.38 g/mol, XLogP of 2.09, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 115425365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).