5-(3-chlorophenyl)-2-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-1,3-oxazole

C21H22ClN3O2 — CID 78808140

IUPAC5-(3-chlorophenyl)-2-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-1,3-oxazole
SMILESCOc1ccc(N2CCN(Cc3ncc(-c4cccc(Cl)c4)o3)CC2)cc1
InChIInChI=1S/C21H22ClN3O2/c1-26-19-7-5-18(6-8-19)25-11-9-24(10-12-25)15-21-23-14-20(27-21)16-3-2-4-17(22)13-16/h2-8,13-14H,9-12,15H2,1H3
InChIKeyUSZSFDCXXMDULL-UHFFFAOYSA-N
MW383.88 g/mol
LogP4.33
Rot. Bonds5

About 5-(3-chlorophenyl)-2-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-1,3-oxazole

5-(3-chlorophenyl)-2-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-1,3-oxazole (PubChem CID 78808140) has the molecular formula C21H22ClN3O2 and a molecular weight of 383.88 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-2-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-1,3-oxazole.

Molecular Properties

Compound Name5-(3-chlorophenyl)-2-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-1,3-oxazole
PubChem CID78808140
Molecular FormulaC21H22ClN3O2
Molecular Weight383.88 g/mol
Exact Mass383.14
IUPAC Name5-(3-chlorophenyl)-2-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-1,3-oxazole
SMILESCOc1ccc(N2CCN(Cc3ncc(-c4cccc(Cl)c4)o3)CC2)cc1
InChIInChI=1S/C21H22ClN3O2/c1-26-19-7-5-18(6-8-19)25-11-9-24(10-12-25)15-21-23-14-20(27-21)16-3-2-4-17(22)13-16/h2-8,13-14H,9-12,15H2,1H3
InChIKeyUSZSFDCXXMDULL-UHFFFAOYSA-N
XLogP4.33
TPSA41.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.88
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-5-(4-methoxyphenyl)-1,3-oxazole
CID 48631704
2-(3-chlorophenyl)-4-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-1,3-oxazole
CID 55591666
5-(4-methoxyphenyl)-2-[[4-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]-1,4-diazepan-1-yl]methyl]-1,3-oxazole
CID 166197592
5-(3-chlorophenyl)-2-[[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]methyl]-1,3-oxazole
CID 60500597
2-(3-chlorophenyl)-4-[[4-(4-methoxyphenyl)-1,4-diazepan-1-yl]methyl]-1,3-oxazole
CID 55831124
1-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl]piperidine-4-carboxylic acid
CID 119906619
1-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl]-3,3-dimethylpiperidin-4-amine;dihydrochloride
CID 120774108
1-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl]-N-methylpiperidin-3-amine;dihydrochloride
CID 119918897
1-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]piperidine-4-carboxylic acid
CID 119907230
1-(3-chlorophenyl)-4-[(5-methoxy-1-benzofuran-2-yl)methyl]piperazine
CID 3067874
1-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl]-3-methylpiperidin-4-amine;dihydrochloride
CID 119924998
(3S)-1-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]pyrrolidin-3-ol
CID 111123250

Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-2-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-1,3-oxazole?
The IUPAC name of 5-(3-chlorophenyl)-2-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-1,3-oxazole (CID 78808140) is 5-(3-chlorophenyl)-2-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-1,3-oxazole.
What is the SMILES notation for 5-(3-chlorophenyl)-2-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-1,3-oxazole?
The canonical SMILES for 5-(3-chlorophenyl)-2-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-1,3-oxazole is COc1ccc(N2CCN(Cc3ncc(-c4cccc(Cl)c4)o3)CC2)cc1.
What is the InChIKey of 5-(3-chlorophenyl)-2-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-1,3-oxazole?
The InChIKey is USZSFDCXXMDULL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O2/c1-26-19-7-5-18(6-8-19)25-11-9-24(10-12-25)15-21-23-14-20(27-21)16-3-2-4-17(22)13-16/h2-8,13-14H,9-12,15H2,1H3.
What are the key properties of 5-(3-chlorophenyl)-2-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-1,3-oxazole?
5-(3-chlorophenyl)-2-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-1,3-oxazole has a molecular weight of 383.88 g/mol, XLogP of 4.33, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-2-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-1,3-oxazole is sourced from PubChem (CID 78808140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).