3-(2-methylpropyl)-4-piperazin-1-yl-1,3-benzoxazol-2-one

C15H21N3O2 — CID 82345411

IUPAC3-(2-methylpropyl)-4-piperazin-1-yl-1,3-benzoxazol-2-one
SMILESCC(C)Cn1c(=O)oc2cccc(N3CCNCC3)c21
InChIInChI=1S/C15H21N3O2/c1-11(2)10-18-14-12(17-8-6-16-7-9-17)4-3-5-13(14)20-15(18)19/h3-5,11,16H,6-10H2,1-2H3
InChIKeyTWYZUVSWOJKICZ-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.66
Rot. Bonds3

About 3-(2-methylpropyl)-4-piperazin-1-yl-1,3-benzoxazol-2-one

3-(2-methylpropyl)-4-piperazin-1-yl-1,3-benzoxazol-2-one (PubChem CID 82345411) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 3-(2-methylpropyl)-4-piperazin-1-yl-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name3-(2-methylpropyl)-4-piperazin-1-yl-1,3-benzoxazol-2-one
PubChem CID82345411
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name3-(2-methylpropyl)-4-piperazin-1-yl-1,3-benzoxazol-2-one
SMILESCC(C)Cn1c(=O)oc2cccc(N3CCNCC3)c21
InChIInChI=1S/C15H21N3O2/c1-11(2)10-18-14-12(17-8-6-16-7-9-17)4-3-5-13(14)20-15(18)19/h3-5,11,16H,6-10H2,1-2H3
InChIKeyTWYZUVSWOJKICZ-UHFFFAOYSA-N
XLogP1.66
TPSA50.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-methylbutyl)-4-piperazin-1-yl-1,3-benzoxazol-2-one
CID 82345410
4-piperazin-1-yl-3-propanoyl-1,3-benzoxazol-2-one
CID 68535030
1-(3-propan-2-yl-1-benzofuran-4-yl)piperazine
CID 82385549
1-(2-propan-2-ylphenyl)piperazine
CID 3608822
3-methyl-8-piperazin-1-ylchromen-2-one
CID 22355296
3-piperazin-1-ylchromen-4-one
CID 142793533
7-piperazin-1-yl-3H-1,3-benzoxazol-2-one
CID 20644640
1-(2-piperazin-1-ylphenyl)piperazine;hydrobromide
CID 118703673
2-(2-methylprop-1-enyl)-4-piperazin-1-yl-1,3-benzoxazole
CID 82346485
1-methyl-5-piperazin-1-ylquinolin-2-one
CID 82279962
2-methylsulfanyl-6-piperazin-1-ylbenzaldehyde
CID 157268238
3-methyl-7-piperazin-1-yl-5-propan-2-yl-1,3-benzoxazol-2-one
CID 94980152

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropyl)-4-piperazin-1-yl-1,3-benzoxazol-2-one?
The IUPAC name of 3-(2-methylpropyl)-4-piperazin-1-yl-1,3-benzoxazol-2-one (CID 82345411) is 3-(2-methylpropyl)-4-piperazin-1-yl-1,3-benzoxazol-2-one.
What is the SMILES notation for 3-(2-methylpropyl)-4-piperazin-1-yl-1,3-benzoxazol-2-one?
The canonical SMILES for 3-(2-methylpropyl)-4-piperazin-1-yl-1,3-benzoxazol-2-one is CC(C)Cn1c(=O)oc2cccc(N3CCNCC3)c21.
What is the InChIKey of 3-(2-methylpropyl)-4-piperazin-1-yl-1,3-benzoxazol-2-one?
The InChIKey is TWYZUVSWOJKICZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-11(2)10-18-14-12(17-8-6-16-7-9-17)4-3-5-13(14)20-15(18)19/h3-5,11,16H,6-10H2,1-2H3.
What are the key properties of 3-(2-methylpropyl)-4-piperazin-1-yl-1,3-benzoxazol-2-one?
3-(2-methylpropyl)-4-piperazin-1-yl-1,3-benzoxazol-2-one has a molecular weight of 275.35 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropyl)-4-piperazin-1-yl-1,3-benzoxazol-2-one is sourced from PubChem (CID 82345411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).