7-(4-methylpiperazin-1-yl)-3H-1,3-benzoxazol-2-one

C12H15N3O2 — CID 6918525

IUPAC7-(4-methylpiperazin-1-yl)-3H-1,3-benzoxazol-2-one
SMILESCN1CCN(c2cccc3[nH]c(=O)oc23)CC1
InChIInChI=1S/C12H15N3O2/c1-14-5-7-15(8-6-14)10-4-2-3-9-11(10)17-12(16)13-9/h2-4H,5-8H2,1H3,(H,13,16)
InChIKeyYVPUUUDAZYFFQT-UHFFFAOYSA-N
MW233.27 g/mol
LogP0.87
Rot. Bonds1

About 7-(4-methylpiperazin-1-yl)-3H-1,3-benzoxazol-2-one

7-(4-methylpiperazin-1-yl)-3H-1,3-benzoxazol-2-one (PubChem CID 6918525) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 7-(4-methylpiperazin-1-yl)-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name7-(4-methylpiperazin-1-yl)-3H-1,3-benzoxazol-2-one
PubChem CID6918525
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name7-(4-methylpiperazin-1-yl)-3H-1,3-benzoxazol-2-one
SMILESCN1CCN(c2cccc3[nH]c(=O)oc23)CC1
InChIInChI=1S/C12H15N3O2/c1-14-5-7-15(8-6-14)10-4-2-3-9-11(10)17-12(16)13-9/h2-4H,5-8H2,1H3,(H,13,16)
InChIKeyYVPUUUDAZYFFQT-UHFFFAOYSA-N
XLogP0.87
TPSA52.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-(4-methylpiperazin-1-yl)-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

2(3H)-Benzoxazolone
CID 6043
Bifeprunox
CID 208951
3-(2-Oxopropyl)-2(3H)-benzoxazolone
CID 2744628
5-Amino-2,3-dihydro-1,3-benzoxazol-2-one
CID 26856
2-Benzoxazolinone, 3-methyl-
CID 30846
3-(2-oxo-1,3-benzoxazol-3(2H)-yl)propanamide
CID 825415
tert-butyl N-{3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl}carbamate
CID 57420188
tert-butyl N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]carbamate
CID 58765508
3-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1,3-benzoxazol-2(3H)-one
CID 2995774
2-Benzoxazolinone, 3-allyl-
CID 25999
2(3H)-Benzoxazolone, 3-ethyl-
CID 35453
Pardoprunox hydrochloride
CID 6918524

Frequently Asked Questions

What is the IUPAC name of 7-(4-methylpiperazin-1-yl)-3H-1,3-benzoxazol-2-one?
The IUPAC name of 7-(4-methylpiperazin-1-yl)-3H-1,3-benzoxazol-2-one (CID 6918525) is 7-(4-methylpiperazin-1-yl)-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 7-(4-methylpiperazin-1-yl)-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 7-(4-methylpiperazin-1-yl)-3H-1,3-benzoxazol-2-one is CN1CCN(c2cccc3[nH]c(=O)oc23)CC1.
What is the InChIKey of 7-(4-methylpiperazin-1-yl)-3H-1,3-benzoxazol-2-one?
The InChIKey is YVPUUUDAZYFFQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-14-5-7-15(8-6-14)10-4-2-3-9-11(10)17-12(16)13-9/h2-4H,5-8H2,1H3,(H,13,16).
What are the key properties of 7-(4-methylpiperazin-1-yl)-3H-1,3-benzoxazol-2-one?
7-(4-methylpiperazin-1-yl)-3H-1,3-benzoxazol-2-one has a molecular weight of 233.27 g/mol, XLogP of 0.87, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-methylpiperazin-1-yl)-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 6918525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).