5-chloro-2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-1,3-benzoxazole

C17H17ClN4O2 — CID 59671539

IUPAC5-chloro-2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-1,3-benzoxazole
SMILESClc1ccc2oc(N3CCNCC3COc3cccnc3)nc2c1
InChIInChI=1S/C17H17ClN4O2/c18-12-3-4-16-15(8-12)21-17(24-16)22-7-6-20-9-13(22)11-23-14-2-1-5-19-10-14/h1-5,8,10,13,20H,6-7,9,11H2
InChIKeySDXXZAOQKNZXMY-UHFFFAOYSA-N
MW344.80 g/mol
LogP2.73
Rot. Bonds4

About 5-chloro-2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-1,3-benzoxazole

5-chloro-2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-1,3-benzoxazole (PubChem CID 59671539) has the molecular formula C17H17ClN4O2 and a molecular weight of 344.80 g/mol. Its IUPAC name is 5-chloro-2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-1,3-benzoxazole.

Molecular Properties

Compound Name5-chloro-2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-1,3-benzoxazole
PubChem CID59671539
Molecular FormulaC17H17ClN4O2
Molecular Weight344.80 g/mol
Exact Mass344.10
IUPAC Name5-chloro-2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-1,3-benzoxazole
SMILESClc1ccc2oc(N3CCNCC3COc3cccnc3)nc2c1
InChIInChI=1S/C17H17ClN4O2/c18-12-3-4-16-15(8-12)21-17(24-16)22-7-6-20-9-13(22)11-23-14-2-1-5-19-10-14/h1-5,8,10,13,20H,6-7,9,11H2
InChIKeySDXXZAOQKNZXMY-UHFFFAOYSA-N
XLogP2.73
TPSA63.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.80
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(2R)-2-(pyridin-3-yloxymethyl)piperazin-1-yl]-1,3-benzoxazole
CID 66797360
6-methyl-2-[(2R)-2-(pyridin-3-yloxymethyl)piperazin-1-yl]-1,3-benzoxazole
CID 66796479
6-fluoro-2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-1,3-benzoxazole
CID 66797247
6-methoxy-2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-1,3-benzoxazole;hydrochloride
CID 66797481
6,7-difluoro-2-[(2R)-2-(pyridin-3-yloxymethyl)piperazin-1-yl]-1,3-benzothiazole
CID 66796615
6,7-difluoro-2-[(2R)-2-(pyridin-3-yloxymethyl)piperazin-1-yl]-1,3-benzothiazole;hydrochloride
CID 66796614
N-benzyl-4-methyl-2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-1,3-oxazole-5-carboxamide
CID 59671532
5-methoxy-2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-1,3-benzothiazole
CID 66797139
[5-(2,4-dichlorophenyl)furan-2-yl]-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]methanone;dihydrochloride
CID 66797196
6-bromo-4-fluoro-2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-1,3-benzothiazole
CID 66797338
N-(4-chlorophenyl)-N-methyl-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;dihydrochloride
CID 66797456
2-(2-ethylpiperazin-1-yl)-1,3-benzoxazole
CID 63553534

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-1,3-benzoxazole?
The IUPAC name of 5-chloro-2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-1,3-benzoxazole (CID 59671539) is 5-chloro-2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-1,3-benzoxazole.
What is the SMILES notation for 5-chloro-2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-1,3-benzoxazole?
The canonical SMILES for 5-chloro-2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-1,3-benzoxazole is Clc1ccc2oc(N3CCNCC3COc3cccnc3)nc2c1.
What is the InChIKey of 5-chloro-2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-1,3-benzoxazole?
The InChIKey is SDXXZAOQKNZXMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4O2/c18-12-3-4-16-15(8-12)21-17(24-16)22-7-6-20-9-13(22)11-23-14-2-1-5-19-10-14/h1-5,8,10,13,20H,6-7,9,11H2.
What are the key properties of 5-chloro-2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-1,3-benzoxazole?
5-chloro-2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-1,3-benzoxazole has a molecular weight of 344.80 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-1,3-benzoxazole is sourced from PubChem (CID 59671539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).