2-[4-(2-phenoxyethyl)piperazin-1-yl]-1,3-benzoxazole

C19H21N3O2 — CID 146080024

IUPAC2-[4-(2-phenoxyethyl)piperazin-1-yl]-1,3-benzoxazole
SMILESc1ccc(OCCN2CCN(c3nc4ccccc4o3)CC2)cc1
InChIInChI=1S/C19H21N3O2/c1-2-6-16(7-3-1)23-15-14-21-10-12-22(13-11-21)19-20-17-8-4-5-9-18(17)24-19/h1-9H,10-15H2
InChIKeyNCCUROCZYCSKOD-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.03
Rot. Bonds5

About 2-[4-(2-phenoxyethyl)piperazin-1-yl]-1,3-benzoxazole

2-[4-(2-phenoxyethyl)piperazin-1-yl]-1,3-benzoxazole (PubChem CID 146080024) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 2-[4-(2-phenoxyethyl)piperazin-1-yl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[4-(2-phenoxyethyl)piperazin-1-yl]-1,3-benzoxazole
PubChem CID146080024
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name2-[4-(2-phenoxyethyl)piperazin-1-yl]-1,3-benzoxazole
SMILESc1ccc(OCCN2CCN(c3nc4ccccc4o3)CC2)cc1
InChIInChI=1S/C19H21N3O2/c1-2-6-16(7-3-1)23-15-14-21-10-12-22(13-11-21)19-20-17-8-4-5-9-18(17)24-19/h1-9H,10-15H2
InChIKeyNCCUROCZYCSKOD-UHFFFAOYSA-N
XLogP3.03
TPSA41.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-propylpiperazin-1-yl)-1,3-benzoxazole
CID 11395660
2-[4-(1,3-benzoxazol-2-yl)-1,4-diazepan-1-yl]-1,3-benzoxazole
CID 14792326
2-(4-phenoxypiperidin-1-yl)-1,3-benzoxazole
CID 155569925
2-[4-[(2,6-difluorophenyl)methyl]piperazin-1-yl]-1,3-benzoxazole
CID 126770624
2-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]ethanethioamide
CID 63337071
2-[4-[2-(1,3-dioxan-2-yl)ethyl]-1,4-diazepan-1-yl]-1,3-benzoxazole
CID 171912728
1,4-bis(2-phenoxyethyl)-1,4-diazepane
CID 58861609
2-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3-benzoxazole
CID 51179578
2-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-1,3-benzoxazole
CID 163352202
2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-benzoxazole
CID 24805905
4,6-dimethyl-2-[4-(2-phenoxyethyl)piperazin-1-yl]pyrimidine
CID 12962125
2-[4-[2-(5-fluorobenzimidazol-1-yl)ethyl]piperazin-1-yl]-1,3-benzoxazole
CID 126858331

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-phenoxyethyl)piperazin-1-yl]-1,3-benzoxazole?
The IUPAC name of 2-[4-(2-phenoxyethyl)piperazin-1-yl]-1,3-benzoxazole (CID 146080024) is 2-[4-(2-phenoxyethyl)piperazin-1-yl]-1,3-benzoxazole.
What is the SMILES notation for 2-[4-(2-phenoxyethyl)piperazin-1-yl]-1,3-benzoxazole?
The canonical SMILES for 2-[4-(2-phenoxyethyl)piperazin-1-yl]-1,3-benzoxazole is c1ccc(OCCN2CCN(c3nc4ccccc4o3)CC2)cc1.
What is the InChIKey of 2-[4-(2-phenoxyethyl)piperazin-1-yl]-1,3-benzoxazole?
The InChIKey is NCCUROCZYCSKOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-2-6-16(7-3-1)23-15-14-21-10-12-22(13-11-21)19-20-17-8-4-5-9-18(17)24-19/h1-9H,10-15H2.
What are the key properties of 2-[4-(2-phenoxyethyl)piperazin-1-yl]-1,3-benzoxazole?
2-[4-(2-phenoxyethyl)piperazin-1-yl]-1,3-benzoxazole has a molecular weight of 323.40 g/mol, XLogP of 3.03, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-phenoxyethyl)piperazin-1-yl]-1,3-benzoxazole is sourced from PubChem (CID 146080024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).