3-methyl-5-(1-piperazin-1-ylethyl)-1,3-benzoxazol-2-one

C14H19N3O2 — CID 82500900

IUPAC3-methyl-5-(1-piperazin-1-ylethyl)-1,3-benzoxazol-2-one
SMILESCC(c1ccc2oc(=O)n(C)c2c1)N1CCNCC1
InChIInChI=1S/C14H19N3O2/c1-10(17-7-5-15-6-8-17)11-3-4-13-12(9-11)16(2)14(18)19-13/h3-4,9-10,15H,5-8H2,1-2H3
InChIKeyUUUNJPALSDLBRC-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.10
Rot. Bonds2

About 3-methyl-5-(1-piperazin-1-ylethyl)-1,3-benzoxazol-2-one

3-methyl-5-(1-piperazin-1-ylethyl)-1,3-benzoxazol-2-one (PubChem CID 82500900) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 3-methyl-5-(1-piperazin-1-ylethyl)-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name3-methyl-5-(1-piperazin-1-ylethyl)-1,3-benzoxazol-2-one
PubChem CID82500900
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name3-methyl-5-(1-piperazin-1-ylethyl)-1,3-benzoxazol-2-one
SMILESCC(c1ccc2oc(=O)n(C)c2c1)N1CCNCC1
InChIInChI=1S/C14H19N3O2/c1-10(17-7-5-15-6-8-17)11-3-4-13-12(9-11)16(2)14(18)19-13/h3-4,9-10,15H,5-8H2,1-2H3
InChIKeyUUUNJPALSDLBRC-UHFFFAOYSA-N
XLogP1.10
TPSA50.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[amino(hydroxy)methyl]-3-methyl-1,3-benzoxazol-2-one
CID 116939680
5-(1,2-diamino-2-methylpropyl)-3-methyl-1,3-benzoxazol-2-one
CID 116932683
5-(1-amino-3-methylbutyl)-3-methyl-1,3-benzoxazol-2-one
CID 82496350
1-[1-(3,4-diiodophenyl)ethyl]piperazine
CID 118911318
3-methyl-5-[methylamino(pyrrolidin-3-yl)methyl]-1,3-benzoxazol-2-one
CID 116951093
3-methyl-7-piperazin-1-yl-5-propan-2-yl-1,3-benzoxazol-2-one
CID 94980152
2-amino-2-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)acetamide
CID 116850801
5-[2-hydroxy-1-(methylamino)propyl]-3-methyl-1,3-benzoxazol-2-one
CID 116859488
3-methyl-5-[1-(methylamino)-2-oxopropyl]-1,3-benzoxazol-2-one
CID 116955912
5-[2-(1,4-diazepan-1-yl)ethyl]-3-methyl-1,3-benzoxazol-2-one
CID 98033822
5-[1-(1,4-diazepan-1-yl)ethyl]-2-methyl-1,3-benzoxazole
CID 82500384
1-[(1R)-1-naphthalen-2-ylethyl]piperazine
CID 93464443

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(1-piperazin-1-ylethyl)-1,3-benzoxazol-2-one?
The IUPAC name of 3-methyl-5-(1-piperazin-1-ylethyl)-1,3-benzoxazol-2-one (CID 82500900) is 3-methyl-5-(1-piperazin-1-ylethyl)-1,3-benzoxazol-2-one.
What is the SMILES notation for 3-methyl-5-(1-piperazin-1-ylethyl)-1,3-benzoxazol-2-one?
The canonical SMILES for 3-methyl-5-(1-piperazin-1-ylethyl)-1,3-benzoxazol-2-one is CC(c1ccc2oc(=O)n(C)c2c1)N1CCNCC1.
What is the InChIKey of 3-methyl-5-(1-piperazin-1-ylethyl)-1,3-benzoxazol-2-one?
The InChIKey is UUUNJPALSDLBRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-10(17-7-5-15-6-8-17)11-3-4-13-12(9-11)16(2)14(18)19-13/h3-4,9-10,15H,5-8H2,1-2H3.
What are the key properties of 3-methyl-5-(1-piperazin-1-ylethyl)-1,3-benzoxazol-2-one?
3-methyl-5-(1-piperazin-1-ylethyl)-1,3-benzoxazol-2-one has a molecular weight of 261.32 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(1-piperazin-1-ylethyl)-1,3-benzoxazol-2-one is sourced from PubChem (CID 82500900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).