1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-4-(imidazol-1-ylmethyl)piperidin-4-ol

C20H23ClN4O2 — CID 56861269

IUPAC1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-4-(imidazol-1-ylmethyl)piperidin-4-ol
SMILESCc1oc(-c2cccc(Cl)c2)nc1CN1CCC(O)(Cn2ccnc2)CC1
InChIInChI=1S/C20H23ClN4O2/c1-15-18(23-19(27-15)16-3-2-4-17(21)11-16)12-24-8-5-20(26,6-9-24)13-25-10-7-22-14-25/h2-4,7,10-11,14,26H,5-6,8-9,12-13H2,1H3
InChIKeyCAFGGMZAKPEXCY-UHFFFAOYSA-N
MW386.88 g/mol
LogP3.53
Rot. Bonds5

About 1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-4-(imidazol-1-ylmethyl)piperidin-4-ol

1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-4-(imidazol-1-ylmethyl)piperidin-4-ol (PubChem CID 56861269) has the molecular formula C20H23ClN4O2 and a molecular weight of 386.88 g/mol. Its IUPAC name is 1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-4-(imidazol-1-ylmethyl)piperidin-4-ol.

Molecular Properties

Compound Name1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-4-(imidazol-1-ylmethyl)piperidin-4-ol
PubChem CID56861269
Molecular FormulaC20H23ClN4O2
Molecular Weight386.88 g/mol
Exact Mass386.15
IUPAC Name1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-4-(imidazol-1-ylmethyl)piperidin-4-ol
SMILESCc1oc(-c2cccc(Cl)c2)nc1CN1CCC(O)(Cn2ccnc2)CC1
InChIInChI=1S/C20H23ClN4O2/c1-15-18(23-19(27-15)16-3-2-4-17(21)11-16)12-24-8-5-20(26,6-9-24)13-25-10-7-22-14-25/h2-4,7,10-11,14,26H,5-6,8-9,12-13H2,1H3
InChIKeyCAFGGMZAKPEXCY-UHFFFAOYSA-N
XLogP3.53
TPSA67.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.88
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-4-(imidazol-1-ylmethyl)piperidin-4-ol with MolForge

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

Launch Full Analysis

Related Compounds

[1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-4-yl]methanamine
CID 56760461
N-(4-chlorophenyl)-4-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazine-1-carboxamide
CID 46364592
2-(2-chlorophenyl)-4-[[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methyl]-5-methyl-1,3-oxazole
CID 70759381
2-(3-chlorophenyl)-5-methyl-4-[[(3R)-3-methylpiperazin-1-yl]methyl]-1,3-oxazole
CID 95216234
2-(3-chlorophenyl)-5-methyl-4-[(4-methylimidazol-1-yl)methyl]-1,3-oxazole
CID 56759177
2-(3-chlorophenyl)-4-[[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]methyl]-5-methyl-1,3-oxazole
CID 53084974
2-[(2S)-4-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]morpholin-2-yl]ethanol
CID 95394340
1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-cyclopentylpiperidine-4-carboxamide
CID 20859881
4-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]morpholine
CID 30851824
1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide
CID 3236063
2-(3-chlorophenyl)-4-[[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]methyl]-5-methyl-1,3-oxazole
CID 53084971
2-(3-chlorophenyl)-4-[[4-(5-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]methyl]-5-methyl-1,3-oxazole
CID 53084970

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-4-(imidazol-1-ylmethyl)piperidin-4-ol?
The IUPAC name of 1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-4-(imidazol-1-ylmethyl)piperidin-4-ol (CID 56861269) is 1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-4-(imidazol-1-ylmethyl)piperidin-4-ol.
What is the SMILES notation for 1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-4-(imidazol-1-ylmethyl)piperidin-4-ol?
The canonical SMILES for 1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-4-(imidazol-1-ylmethyl)piperidin-4-ol is Cc1oc(-c2cccc(Cl)c2)nc1CN1CCC(O)(Cn2ccnc2)CC1.
What is the InChIKey of 1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-4-(imidazol-1-ylmethyl)piperidin-4-ol?
The InChIKey is CAFGGMZAKPEXCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN4O2/c1-15-18(23-19(27-15)16-3-2-4-17(21)11-16)12-24-8-5-20(26,6-9-24)13-25-10-7-22-14-25/h2-4,7,10-11,14,26H,5-6,8-9,12-13H2,1H3.
What are the key properties of 1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-4-(imidazol-1-ylmethyl)piperidin-4-ol?
1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-4-(imidazol-1-ylmethyl)piperidin-4-ol has a molecular weight of 386.88 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-4-(imidazol-1-ylmethyl)piperidin-4-ol is sourced from PubChem (CID 56861269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).