[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]-(4-methyl-1,2-oxazol-5-yl)methanone

C17H20ClN3O3 — CID 71984607

IUPAC[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]-(4-methyl-1,2-oxazol-5-yl)methanone
SMILESCOc1ccc(Cl)cc1CN1CCN(C(=O)c2oncc2C)CC1
InChIInChI=1S/C17H20ClN3O3/c1-12-10-19-24-16(12)17(22)21-7-5-20(6-8-21)11-13-9-14(18)3-4-15(13)23-2/h3-4,9-10H,5-8,11H2,1-2H3
InChIKeyZSYSEYOJAYYJKB-UHFFFAOYSA-N
MW349.82 g/mol
LogP2.60
Rot. Bonds4

About [4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]-(4-methyl-1,2-oxazol-5-yl)methanone

[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]-(4-methyl-1,2-oxazol-5-yl)methanone (PubChem CID 71984607) has the molecular formula C17H20ClN3O3 and a molecular weight of 349.82 g/mol. Its IUPAC name is [4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]-(4-methyl-1,2-oxazol-5-yl)methanone.

Molecular Properties

Compound Name[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]-(4-methyl-1,2-oxazol-5-yl)methanone
PubChem CID71984607
Molecular FormulaC17H20ClN3O3
Molecular Weight349.82 g/mol
Exact Mass349.12
IUPAC Name[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]-(4-methyl-1,2-oxazol-5-yl)methanone
SMILESCOc1ccc(Cl)cc1CN1CCN(C(=O)c2oncc2C)CC1
InChIInChI=1S/C17H20ClN3O3/c1-12-10-19-24-16(12)17(22)21-7-5-20(6-8-21)11-13-9-14(18)3-4-15(13)23-2/h3-4,9-10H,5-8,11H2,1-2H3
InChIKeyZSYSEYOJAYYJKB-UHFFFAOYSA-N
XLogP2.60
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.82
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]-[4-(4-methylpyrazol-1-yl)phenyl]methanone
CID 55774759
1-[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]-2-(2-methoxyphenyl)ethanone
CID 55588565
[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]-[4-(5-methyl-3,4-dihydropyrazol-2-yl)phenyl]methanone
CID 55761314
[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]-(oxolan-2-yl)methanone
CID 47010572
2-[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]-1-morpholin-4-ylethanone
CID 55409153
[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]-[4-(2,2,2-trifluoroethoxy)phenyl]methanone
CID 55609464
4-[(5-chloro-2-methoxyphenyl)methyl]-N-(3-fluoro-4-methylphenyl)piperazine-1-carboxamide
CID 17148904
[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]-(4-prop-2-enoxyphenyl)methanone
CID 55588569
[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]-(2-methyl-3,5-dinitrophenyl)methanone
CID 78853002
(2S)-2-amino-1-[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]-3,3-dimethylbutan-1-one
CID 119843709
3-amino-1-[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]butan-1-one;dihydrochloride
CID 119843729
(2S)-1-[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]-2-methylpentan-1-one
CID 95605150

Frequently Asked Questions

What is the IUPAC name of [4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]-(4-methyl-1,2-oxazol-5-yl)methanone?
The IUPAC name of [4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]-(4-methyl-1,2-oxazol-5-yl)methanone (CID 71984607) is [4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]-(4-methyl-1,2-oxazol-5-yl)methanone.
What is the SMILES notation for [4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]-(4-methyl-1,2-oxazol-5-yl)methanone?
The canonical SMILES for [4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]-(4-methyl-1,2-oxazol-5-yl)methanone is COc1ccc(Cl)cc1CN1CCN(C(=O)c2oncc2C)CC1.
What is the InChIKey of [4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]-(4-methyl-1,2-oxazol-5-yl)methanone?
The InChIKey is ZSYSEYOJAYYJKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O3/c1-12-10-19-24-16(12)17(22)21-7-5-20(6-8-21)11-13-9-14(18)3-4-15(13)23-2/h3-4,9-10H,5-8,11H2,1-2H3.
What are the key properties of [4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]-(4-methyl-1,2-oxazol-5-yl)methanone?
[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]-(4-methyl-1,2-oxazol-5-yl)methanone has a molecular weight of 349.82 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]-(4-methyl-1,2-oxazol-5-yl)methanone is sourced from PubChem (CID 71984607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).