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

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Related Compounds

4-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1-phenylpiperazin-2-one
CID 25374674
1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-4-(imidazol-1-ylmethyl)piperidin-4-ol
CID 56861269
2-(2-chlorophenyl)-4-[[4-(2-methoxyphenoxy)piperidin-1-yl]methyl]-5-methyl-1,3-oxazole
CID 42245325
6-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1,2,4,5,7,8-hexahydropyrazolo[3,4-d]azepin-3-one
CID 70758639
(3R)-1-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-3-carbonitrile
CID 95872425
2-(2-chlorophenyl)-4-[(2,4-dimethylimidazol-1-yl)methyl]-5-methyl-1,3-oxazole
CID 56748666
2-(2-chlorophenyl)-5-methyl-4-[(2-pyridin-2-ylimidazol-1-yl)methyl]-1,3-oxazole
CID 56738899
4-[[4-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazin-1-yl]methyl]-6-ethylchromen-2-one
CID 17251288
(3R)-4-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1,3-dimethylpiperazin-2-one
CID 95872581
N-[1-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrrolidin-3-yl]-N-methylacetamide
CID 70784562
(3S)-1-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-3-carboxamide
CID 95868173
[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methanamine;hydrochloride
CID 45156813

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).