5-(3-methylpiperazin-2-yl)-3H-1,3-benzoxazol-2-one

C12H15N3O2 — CID 116829287

IUPAC5-(3-methylpiperazin-2-yl)-3H-1,3-benzoxazol-2-one
SMILESCC1NCCNC1c1ccc2oc(=O)[nH]c2c1
InChIInChI=1S/C12H15N3O2/c1-7-11(14-5-4-13-7)8-2-3-10-9(6-8)15-12(16)17-10/h2-3,6-7,11,13-14H,4-5H2,1H3,(H,15,16)
InChIKeyUTNSCBKZVVESNV-UHFFFAOYSA-N
MW233.27 g/mol
LogP0.74
Rot. Bonds1

About 5-(3-methylpiperazin-2-yl)-3H-1,3-benzoxazol-2-one

5-(3-methylpiperazin-2-yl)-3H-1,3-benzoxazol-2-one (PubChem CID 116829287) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 5-(3-methylpiperazin-2-yl)-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name5-(3-methylpiperazin-2-yl)-3H-1,3-benzoxazol-2-one
PubChem CID116829287
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name5-(3-methylpiperazin-2-yl)-3H-1,3-benzoxazol-2-one
SMILESCC1NCCNC1c1ccc2oc(=O)[nH]c2c1
InChIInChI=1S/C12H15N3O2/c1-7-11(14-5-4-13-7)8-2-3-10-9(6-8)15-12(16)17-10/h2-3,6-7,11,13-14H,4-5H2,1H3,(H,15,16)
InChIKeyUTNSCBKZVVESNV-UHFFFAOYSA-N
XLogP0.74
TPSA70.06 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-morpholin-3-yl-3H-1,3-benzoxazol-2-one
CID 116963142
2-(2-oxo-3H-1,3-benzoxazol-5-yl)cyclopropane-1-carbonitrile
CID 116837000
5-(2-oxo-1-propan-2-ylimidazolidin-4-yl)-3H-1,3-benzoxazol-2-one
CID 116981155
5-amino-3H-1,3-benzoxazol-2-one
CID 26856
2-oxo-4-(2-oxo-3H-1,3-benzoxazol-5-yl)imidazolidine-1-carbonitrile
CID 116980073
2-methyl-3-(3-methylphenyl)piperazine
CID 116829299
3,7-dihydro-[1,3]oxazolo[5,4-f][1,3]benzoxazole-2,6-dione
CID 102579895
5-(3,4-dihydro-2H-1,4-benzoxazin-3-yl)-3H-1,3-benzoxazol-2-one
CID 116837252
5-[1-(2-aminoethyl)piperidin-4-yl]-3H-1,3-benzoxazol-2-one
CID 116962874
2-[2-oxo-4-(2-oxo-3H-1,3-benzoxazol-5-yl)imidazolidin-1-yl]acetonitrile
CID 116980196
5-[(2-methylcyclopentyl)amino]-3H-1,3-benzoxazol-2-one
CID 65044585
5-[[(1S,2R)-2-methylcyclohexyl]amino]-3H-1,3-benzoxazol-2-one
CID 93275329

Frequently Asked Questions

What is the IUPAC name of 5-(3-methylpiperazin-2-yl)-3H-1,3-benzoxazol-2-one?
The IUPAC name of 5-(3-methylpiperazin-2-yl)-3H-1,3-benzoxazol-2-one (CID 116829287) is 5-(3-methylpiperazin-2-yl)-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 5-(3-methylpiperazin-2-yl)-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 5-(3-methylpiperazin-2-yl)-3H-1,3-benzoxazol-2-one is CC1NCCNC1c1ccc2oc(=O)[nH]c2c1.
What is the InChIKey of 5-(3-methylpiperazin-2-yl)-3H-1,3-benzoxazol-2-one?
The InChIKey is UTNSCBKZVVESNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-7-11(14-5-4-13-7)8-2-3-10-9(6-8)15-12(16)17-10/h2-3,6-7,11,13-14H,4-5H2,1H3,(H,15,16).
What are the key properties of 5-(3-methylpiperazin-2-yl)-3H-1,3-benzoxazol-2-one?
5-(3-methylpiperazin-2-yl)-3H-1,3-benzoxazol-2-one has a molecular weight of 233.27 g/mol, XLogP of 0.74, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylpiperazin-2-yl)-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 116829287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).