6-methoxy-2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-1,3-benzoxazole;hydrochloride

C18H21ClN4O3 — CID 66797481

IUPAC6-methoxy-2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-1,3-benzoxazole;hydrochloride
SMILESCOc1ccc2nc(N3CCNCC3COc3cccnc3)oc2c1.Cl
InChIInChI=1S/C18H20N4O3.ClH/c1-23-14-4-5-16-17(9-14)25-18(21-16)22-8-7-20-10-13(22)12-24-15-3-2-6-19-11-15;/h2-6,9,11,13,20H,7-8,10,12H2,1H3;1H
InChIKeyZAHDDPWFQKORRU-UHFFFAOYSA-N
MW376.84 g/mol
LogP2.51
Rot. Bonds5

About 6-methoxy-2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-1,3-benzoxazole;hydrochloride

6-methoxy-2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-1,3-benzoxazole;hydrochloride (PubChem CID 66797481) has the molecular formula C18H21ClN4O3 and a molecular weight of 376.84 g/mol. Its IUPAC name is 6-methoxy-2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-1,3-benzoxazole;hydrochloride.

Molecular Properties

Compound Name6-methoxy-2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-1,3-benzoxazole;hydrochloride
PubChem CID66797481
Molecular FormulaC18H21ClN4O3
Molecular Weight376.84 g/mol
Exact Mass376.13
IUPAC Name6-methoxy-2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-1,3-benzoxazole;hydrochloride
SMILESCOc1ccc2nc(N3CCNCC3COc3cccnc3)oc2c1.Cl
InChIInChI=1S/C18H20N4O3.ClH/c1-23-14-4-5-16-17(9-14)25-18(21-16)22-8-7-20-10-13(22)12-24-15-3-2-6-19-11-15;/h2-6,9,11,13,20H,7-8,10,12H2,1H3;1H
InChIKeyZAHDDPWFQKORRU-UHFFFAOYSA-N
XLogP2.51
TPSA72.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.84
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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
2-[(2R)-2-(pyridin-3-yloxymethyl)piperazin-1-yl]-1,3-benzoxazole
CID 66797360
5-chloro-2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-1,3-benzoxazole
CID 59671539
5-methoxy-2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-1,3-benzothiazole
CID 66797139
N-(4-methoxyphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide
CID 24878344
[5-(4-methoxyphenyl)furan-2-yl]-[(2R)-2-(pyridin-3-yloxymethyl)piperazin-1-yl]methanone;dihydrochloride
CID 66797003
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
6-methoxy-2-[2-[(6-methyl-3-pyridinyl)oxymethyl]piperazin-1-yl]-1,3-benzothiazole
CID 66797287
6,7-difluoro-2-[(2R)-2-(pyridin-3-yloxymethyl)piperazin-1-yl]-1,3-benzothiazole
CID 66796615
1-(4-methoxyphenyl)-2-(phenoxymethyl)piperazine
CID 68843813

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-1,3-benzoxazole;hydrochloride?
The IUPAC name of 6-methoxy-2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-1,3-benzoxazole;hydrochloride (CID 66797481) is 6-methoxy-2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-1,3-benzoxazole;hydrochloride.
What is the SMILES notation for 6-methoxy-2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-1,3-benzoxazole;hydrochloride?
The canonical SMILES for 6-methoxy-2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-1,3-benzoxazole;hydrochloride is COc1ccc2nc(N3CCNCC3COc3cccnc3)oc2c1.Cl.
What is the InChIKey of 6-methoxy-2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-1,3-benzoxazole;hydrochloride?
The InChIKey is ZAHDDPWFQKORRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3.ClH/c1-23-14-4-5-16-17(9-14)25-18(21-16)22-8-7-20-10-13(22)12-24-15-3-2-6-19-11-15;/h2-6,9,11,13,20H,7-8,10,12H2,1H3;1H.
What are the key properties of 6-methoxy-2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-1,3-benzoxazole;hydrochloride?
6-methoxy-2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-1,3-benzoxazole;hydrochloride has a molecular weight of 376.84 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-1,3-benzoxazole;hydrochloride is sourced from PubChem (CID 66797481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).