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

C20H24ClN5O — CID 70759381

IUPAC2-(2-chlorophenyl)-4-[[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methyl]-5-methyl-1,3-oxazole
SMILESCc1oc(-c2ccccc2Cl)nc1CN1CCN(CCn2ccnc2)CC1
InChIInChI=1S/C20H24ClN5O/c1-16-19(23-20(27-16)17-4-2-3-5-18(17)21)14-25-11-8-24(9-12-25)10-13-26-7-6-22-15-26/h2-7,15H,8-14H2,1H3
InChIKeyNQPRFARNNXHUOZ-UHFFFAOYSA-N
MW385.90 g/mol
LogP3.32
Rot. Bonds6

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

2-(2-chlorophenyl)-4-[[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methyl]-5-methyl-1,3-oxazole (PubChem CID 70759381) has the molecular formula C20H24ClN5O and a molecular weight of 385.90 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-4-[[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methyl]-5-methyl-1,3-oxazole.

Molecular Properties

Compound Name2-(2-chlorophenyl)-4-[[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methyl]-5-methyl-1,3-oxazole
PubChem CID70759381
Molecular FormulaC20H24ClN5O
Molecular Weight385.90 g/mol
Exact Mass385.17
IUPAC Name2-(2-chlorophenyl)-4-[[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methyl]-5-methyl-1,3-oxazole
SMILESCc1oc(-c2ccccc2Cl)nc1CN1CCN(CCn2ccnc2)CC1
InChIInChI=1S/C20H24ClN5O/c1-16-19(23-20(27-16)17-4-2-3-5-18(17)21)14-25-11-8-24(9-12-25)10-13-26-7-6-22-15-26/h2-7,15H,8-14H2,1H3
InChIKeyNQPRFARNNXHUOZ-UHFFFAOYSA-N
XLogP3.32
TPSA50.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.90
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(2-chlorophenyl)-4-[[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methyl]-5-methyl-1,3-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-4-[[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methyl]-5-methyl-1,3-oxazole?
The IUPAC name of 2-(2-chlorophenyl)-4-[[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methyl]-5-methyl-1,3-oxazole (CID 70759381) is 2-(2-chlorophenyl)-4-[[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methyl]-5-methyl-1,3-oxazole.
What is the SMILES notation for 2-(2-chlorophenyl)-4-[[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methyl]-5-methyl-1,3-oxazole?
The canonical SMILES for 2-(2-chlorophenyl)-4-[[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methyl]-5-methyl-1,3-oxazole is Cc1oc(-c2ccccc2Cl)nc1CN1CCN(CCn2ccnc2)CC1.
What is the InChIKey of 2-(2-chlorophenyl)-4-[[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methyl]-5-methyl-1,3-oxazole?
The InChIKey is NQPRFARNNXHUOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN5O/c1-16-19(23-20(27-16)17-4-2-3-5-18(17)21)14-25-11-8-24(9-12-25)10-13-26-7-6-22-15-26/h2-7,15H,8-14H2,1H3.
What are the key properties of 2-(2-chlorophenyl)-4-[[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methyl]-5-methyl-1,3-oxazole?
2-(2-chlorophenyl)-4-[[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methyl]-5-methyl-1,3-oxazole has a molecular weight of 385.90 g/mol, XLogP of 3.32, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-4-[[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methyl]-5-methyl-1,3-oxazole is sourced from PubChem (CID 70759381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).