[2-(2-methoxyphenyl)piperazin-1-yl]-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone;hydrochloride

C19H24ClN3O3 — CID 120733590

IUPAC[2-(2-methoxyphenyl)piperazin-1-yl]-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone;hydrochloride
SMILESCOc1ccccc1C1CNCCN1C(=O)c1noc2c1CCCC2.Cl
InChIInChI=1S/C19H23N3O3.ClH/c1-24-16-8-4-2-6-13(16)15-12-20-10-11-22(15)19(23)18-14-7-3-5-9-17(14)25-21-18;/h2,4,6,8,15,20H,3,5,7,9-12H2,1H3;1H
InChIKeyKXKXJNANGQVZKB-UHFFFAOYSA-N
MW377.87 g/mol
LogP2.77
Rot. Bonds3

About [2-(2-methoxyphenyl)piperazin-1-yl]-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone;hydrochloride

[2-(2-methoxyphenyl)piperazin-1-yl]-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone;hydrochloride (PubChem CID 120733590) has the molecular formula C19H24ClN3O3 and a molecular weight of 377.87 g/mol. Its IUPAC name is [2-(2-methoxyphenyl)piperazin-1-yl]-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone;hydrochloride.

Molecular Properties

Compound Name[2-(2-methoxyphenyl)piperazin-1-yl]-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone;hydrochloride
PubChem CID120733590
Molecular FormulaC19H24ClN3O3
Molecular Weight377.87 g/mol
Exact Mass377.15
IUPAC Name[2-(2-methoxyphenyl)piperazin-1-yl]-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone;hydrochloride
SMILESCOc1ccccc1C1CNCCN1C(=O)c1noc2c1CCCC2.Cl
InChIInChI=1S/C19H23N3O3.ClH/c1-24-16-8-4-2-6-13(16)15-12-20-10-11-22(15)19(23)18-14-7-3-5-9-17(14)25-21-18;/h2,4,6,8,15,20H,3,5,7,9-12H2,1H3;1H
InChIKeyKXKXJNANGQVZKB-UHFFFAOYSA-N
XLogP2.77
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.87
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(4-ethylphenyl)piperazin-1-yl]-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone;hydrochloride
CID 120740490
(3-aminopyrazin-2-yl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;dihydrochloride
CID 120735210
[2-(2-methoxyphenyl)piperazin-1-yl]-pyridin-3-ylmethanone;dihydrochloride
CID 120732780
(5-cyclopropyl-1,2-oxazol-3-yl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 120733613
(4-ethylphenyl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 120733353
[2-(2-methoxyphenyl)piperazin-1-yl]-[3-(4-methylphenyl)-1,2-oxazol-5-yl]methanone;hydrochloride
CID 120732866
(5-bromothiophen-3-yl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;hydrochloride
CID 120734960
[2-(2-methoxyphenyl)piperazin-1-yl]-[2-(2-methylphenyl)-1,3-thiazol-4-yl]methanone;hydrochloride
CID 120733828
(2,5-dimethylpyrazol-3-yl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;hydrochloride
CID 120733241
[2-(2-methoxyphenyl)piperazin-1-yl]-(3,4,5-trifluorophenyl)methanone
CID 120733240
(2,4-dimethylphenyl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;hydrochloride
CID 120735161
[4-[2-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]urea
CID 120733655

Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxyphenyl)piperazin-1-yl]-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone;hydrochloride?
The IUPAC name of [2-(2-methoxyphenyl)piperazin-1-yl]-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone;hydrochloride (CID 120733590) is [2-(2-methoxyphenyl)piperazin-1-yl]-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone;hydrochloride.
What is the SMILES notation for [2-(2-methoxyphenyl)piperazin-1-yl]-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone;hydrochloride?
The canonical SMILES for [2-(2-methoxyphenyl)piperazin-1-yl]-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone;hydrochloride is COc1ccccc1C1CNCCN1C(=O)c1noc2c1CCCC2.Cl.
What is the InChIKey of [2-(2-methoxyphenyl)piperazin-1-yl]-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone;hydrochloride?
The InChIKey is KXKXJNANGQVZKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3.ClH/c1-24-16-8-4-2-6-13(16)15-12-20-10-11-22(15)19(23)18-14-7-3-5-9-17(14)25-21-18;/h2,4,6,8,15,20H,3,5,7,9-12H2,1H3;1H.
What are the key properties of [2-(2-methoxyphenyl)piperazin-1-yl]-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone;hydrochloride?
[2-(2-methoxyphenyl)piperazin-1-yl]-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone;hydrochloride has a molecular weight of 377.87 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxyphenyl)piperazin-1-yl]-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone;hydrochloride is sourced from PubChem (CID 120733590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).