2-(oxolan-2-yl)-4-piperazin-1-yl-1,3-benzoxazole

C15H19N3O2 — CID 82346417

IUPAC2-(oxolan-2-yl)-4-piperazin-1-yl-1,3-benzoxazole
SMILESc1cc(N2CCNCC2)c2nc(C3CCCO3)oc2c1
InChIInChI=1S/C15H19N3O2/c1-3-11(18-8-6-16-7-9-18)14-12(4-1)20-15(17-14)13-5-2-10-19-13/h1,3-4,13,16H,2,5-10H2
InChIKeyRTVYFPVCZCDGPJ-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.09
Rot. Bonds2

About 2-(oxolan-2-yl)-4-piperazin-1-yl-1,3-benzoxazole

2-(oxolan-2-yl)-4-piperazin-1-yl-1,3-benzoxazole (PubChem CID 82346417) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-(oxolan-2-yl)-4-piperazin-1-yl-1,3-benzoxazole.

Molecular Properties

Compound Name2-(oxolan-2-yl)-4-piperazin-1-yl-1,3-benzoxazole
PubChem CID82346417
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name2-(oxolan-2-yl)-4-piperazin-1-yl-1,3-benzoxazole
SMILESc1cc(N2CCNCC2)c2nc(C3CCCO3)oc2c1
InChIInChI=1S/C15H19N3O2/c1-3-11(18-8-6-16-7-9-18)14-12(4-1)20-15(17-14)13-5-2-10-19-13/h1,3-4,13,16H,2,5-10H2
InChIKeyRTVYFPVCZCDGPJ-UHFFFAOYSA-N
XLogP2.09
TPSA50.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-methylbutyl)-2-(oxolan-2-yl)-1,3-benzoxazole
CID 54362320
2-[(2R)-oxolan-2-yl]-1,3-benzoxazole
CID 122232513
2-(2-methylprop-1-enyl)-4-piperazin-1-yl-1,3-benzoxazole
CID 82346485
2-(3-chlorophenyl)-4-piperazin-1-yl-1,3-benzoxazole
CID 95948401
4-piperazin-1-yl-1H-benzimidazole;trihydrobromide
CID 3069489
4-(1,4-diazepan-1-yl)-1H-benzimidazole
CID 13180229
2-methyl-4-piperazin-1-yl-1H-benzimidazole
CID 13180225
1-(2-piperazin-1-ylphenyl)piperazine;hydrobromide
CID 118703673
[2-(oxolan-2-yl)-1,3-benzoxazol-5-yl]methanol
CID 82357843
3-(4-methyl-1,3-benzoxazol-2-yl)-7-piperazin-1-yl-3,4-dihydrochromen-2-one;hydrochloride
CID 141376481
2-(oxan-2-yl)-[1,3]oxazolo[4,5-b]pyridine-5-carboxylic acid
CID 114218201
8-piperazin-1-ylquinoline-3-carboxamide
CID 154407057

Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-2-yl)-4-piperazin-1-yl-1,3-benzoxazole?
The IUPAC name of 2-(oxolan-2-yl)-4-piperazin-1-yl-1,3-benzoxazole (CID 82346417) is 2-(oxolan-2-yl)-4-piperazin-1-yl-1,3-benzoxazole.
What is the SMILES notation for 2-(oxolan-2-yl)-4-piperazin-1-yl-1,3-benzoxazole?
The canonical SMILES for 2-(oxolan-2-yl)-4-piperazin-1-yl-1,3-benzoxazole is c1cc(N2CCNCC2)c2nc(C3CCCO3)oc2c1.
What is the InChIKey of 2-(oxolan-2-yl)-4-piperazin-1-yl-1,3-benzoxazole?
The InChIKey is RTVYFPVCZCDGPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-3-11(18-8-6-16-7-9-18)14-12(4-1)20-15(17-14)13-5-2-10-19-13/h1,3-4,13,16H,2,5-10H2.
What are the key properties of 2-(oxolan-2-yl)-4-piperazin-1-yl-1,3-benzoxazole?
2-(oxolan-2-yl)-4-piperazin-1-yl-1,3-benzoxazole has a molecular weight of 273.34 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-2-yl)-4-piperazin-1-yl-1,3-benzoxazole is sourced from PubChem (CID 82346417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).