1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methoxy]ethanone

C21H22ClN3O4 — CID 20906407

IUPAC1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methoxy]ethanone
SMILESCc1ccc(Cl)cc1N1CCN(C(=O)COCc2cc(-c3ccco3)on2)CC1
InChIInChI=1S/C21H22ClN3O4/c1-15-4-5-16(22)11-18(15)24-6-8-25(9-7-24)21(26)14-27-13-17-12-20(29-23-17)19-3-2-10-28-19/h2-5,10-12H,6-9,13-14H2,1H3
InChIKeyHAMCFDHBQKQCRM-UHFFFAOYSA-N
MW415.88 g/mol
LogP3.76
Rot. Bonds6

About 1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methoxy]ethanone

1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methoxy]ethanone (PubChem CID 20906407) has the molecular formula C21H22ClN3O4 and a molecular weight of 415.88 g/mol. Its IUPAC name is 1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methoxy]ethanone.

Molecular Properties

Compound Name1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methoxy]ethanone
PubChem CID20906407
Molecular FormulaC21H22ClN3O4
Molecular Weight415.88 g/mol
Exact Mass415.13
IUPAC Name1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methoxy]ethanone
SMILESCc1ccc(Cl)cc1N1CCN(C(=O)COCc2cc(-c3ccco3)on2)CC1
InChIInChI=1S/C21H22ClN3O4/c1-15-4-5-16(22)11-18(15)24-6-8-25(9-7-24)21(26)14-27-13-17-12-20(29-23-17)19-3-2-10-28-19/h2-5,10-12H,6-9,13-14H2,1H3
InChIKeyHAMCFDHBQKQCRM-UHFFFAOYSA-N
XLogP3.76
TPSA71.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.88
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methoxy]-1-pyrrolidin-1-ylethanone
CID 20906383
1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methoxy]ethanone
CID 20906358
1-[2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methoxy]acetyl]piperidine-4-carboxamide
CID 17254280
methyl 1-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl]-5-(furan-2-yl)pyrrole-2-carboxylate
CID 22522106
N-butan-2-yl-2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methoxy]acetamide
CID 17254268
1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanone
CID 50848904
1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethanone
CID 1081002
1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 92672754
2-[1,3-benzothiazol-2-yl(methyl)amino]-1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethanone
CID 90605487
1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-(furan-2-ylmethoxy)propan-2-ol;oxalic acid
CID 15945140
1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-(2,4-dichlorophenyl)propan-1-one
CID 90872728
2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methoxy]-N-prop-2-enylacetamide
CID 17254256

Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methoxy]ethanone?
The IUPAC name of 1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methoxy]ethanone (CID 20906407) is 1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methoxy]ethanone.
What is the SMILES notation for 1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methoxy]ethanone?
The canonical SMILES for 1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methoxy]ethanone is Cc1ccc(Cl)cc1N1CCN(C(=O)COCc2cc(-c3ccco3)on2)CC1.
What is the InChIKey of 1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methoxy]ethanone?
The InChIKey is HAMCFDHBQKQCRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O4/c1-15-4-5-16(22)11-18(15)24-6-8-25(9-7-24)21(26)14-27-13-17-12-20(29-23-17)19-3-2-10-28-19/h2-5,10-12H,6-9,13-14H2,1H3.
What are the key properties of 1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methoxy]ethanone?
1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methoxy]ethanone has a molecular weight of 415.88 g/mol, XLogP of 3.76, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methoxy]ethanone is sourced from PubChem (CID 20906407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).