2-[4-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperazin-1-yl]-1,3-benzoxazole

C15H17N5O2 — CID 131923933

IUPAC2-[4-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperazin-1-yl]-1,3-benzoxazole
SMILESCc1nonc1CN1CCN(c2nc3ccccc3o2)CC1
InChIInChI=1S/C15H17N5O2/c1-11-13(18-22-17-11)10-19-6-8-20(9-7-19)15-16-12-4-2-3-5-14(12)21-15/h2-5H,6-10H2,1H3
InChIKeyNHUFWSJDTGHQGN-UHFFFAOYSA-N
MW299.33 g/mol
LogP1.84
Rot. Bonds3

About 2-[4-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperazin-1-yl]-1,3-benzoxazole

2-[4-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperazin-1-yl]-1,3-benzoxazole (PubChem CID 131923933) has the molecular formula C15H17N5O2 and a molecular weight of 299.33 g/mol. Its IUPAC name is 2-[4-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperazin-1-yl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[4-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperazin-1-yl]-1,3-benzoxazole
PubChem CID131923933
Molecular FormulaC15H17N5O2
Molecular Weight299.33 g/mol
Exact Mass299.14
IUPAC Name2-[4-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperazin-1-yl]-1,3-benzoxazole
SMILESCc1nonc1CN1CCN(c2nc3ccccc3o2)CC1
InChIInChI=1S/C15H17N5O2/c1-11-13(18-22-17-11)10-19-6-8-20(9-7-19)15-16-12-4-2-3-5-14(12)21-15/h2-5H,6-10H2,1H3
InChIKeyNHUFWSJDTGHQGN-UHFFFAOYSA-N
XLogP1.84
TPSA71.43 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-propylpiperazin-1-yl)-1,3-benzoxazole
CID 11395660
2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-1,3-benzoxazole
CID 24632141
2-[4-(1,3-benzoxazol-2-yl)-1,4-diazepan-1-yl]-1,3-benzoxazole
CID 14792326
2-[4-[(2,6-difluorophenyl)methyl]piperazin-1-yl]-1,3-benzoxazole
CID 126770624
3-methyl-4-[(4-methylpiperazin-1-yl)methyl]-1,2,5-oxadiazole
CID 130158026
2-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]ethanethioamide
CID 63337071
2-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-1,3-benzoxazole
CID 163352202
2-[4-(2-phenoxyethyl)piperazin-1-yl]-1,3-benzoxazole
CID 146080024
2-(4-pyridin-4-ylpiperazin-1-yl)-1,3-benzoxazole
CID 36581573
7,10-bis(1,3-benzoxazol-2-yl)-1-oxa-4,13-dithia-7,10-diazacyclopentadecane
CID 15321742
2-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3-benzoxazole
CID 51179578
2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-benzoxazole
CID 24805905

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperazin-1-yl]-1,3-benzoxazole?
The IUPAC name of 2-[4-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperazin-1-yl]-1,3-benzoxazole (CID 131923933) is 2-[4-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperazin-1-yl]-1,3-benzoxazole.
What is the SMILES notation for 2-[4-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperazin-1-yl]-1,3-benzoxazole?
The canonical SMILES for 2-[4-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperazin-1-yl]-1,3-benzoxazole is Cc1nonc1CN1CCN(c2nc3ccccc3o2)CC1.
What is the InChIKey of 2-[4-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperazin-1-yl]-1,3-benzoxazole?
The InChIKey is NHUFWSJDTGHQGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O2/c1-11-13(18-22-17-11)10-19-6-8-20(9-7-19)15-16-12-4-2-3-5-14(12)21-15/h2-5H,6-10H2,1H3.
What are the key properties of 2-[4-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperazin-1-yl]-1,3-benzoxazole?
2-[4-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperazin-1-yl]-1,3-benzoxazole has a molecular weight of 299.33 g/mol, XLogP of 1.84, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperazin-1-yl]-1,3-benzoxazole is sourced from PubChem (CID 131923933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).