(3R)-4-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1,3-dimethylpiperazin-2-one

C17H20ClN3O2 — CID 95872581

IUPAC(3R)-4-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1,3-dimethylpiperazin-2-one
SMILESCc1oc(-c2ccccc2Cl)nc1CN1CCN(C)C(=O)[C@H]1C
InChIInChI=1S/C17H20ClN3O2/c1-11-17(22)20(3)8-9-21(11)10-15-12(2)23-16(19-15)13-6-4-5-7-14(13)18/h4-7,11H,8-10H2,1-3H3/t11-/m1/s1
InChIKeyLQPQUXNJCRKOQM-LLVKDONJSA-N
MW333.82 g/mol
LogP2.97
Rot. Bonds3

About (3R)-4-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1,3-dimethylpiperazin-2-one

(3R)-4-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1,3-dimethylpiperazin-2-one (PubChem CID 95872581) has the molecular formula C17H20ClN3O2 and a molecular weight of 333.82 g/mol. Its IUPAC name is (3R)-4-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1,3-dimethylpiperazin-2-one.

Molecular Properties

Compound Name(3R)-4-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1,3-dimethylpiperazin-2-one
PubChem CID95872581
Molecular FormulaC17H20ClN3O2
Molecular Weight333.82 g/mol
Exact Mass333.12
IUPAC Name(3R)-4-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1,3-dimethylpiperazin-2-one
SMILESCc1oc(-c2ccccc2Cl)nc1CN1CCN(C)C(=O)[C@H]1C
InChIInChI=1S/C17H20ClN3O2/c1-11-17(22)20(3)8-9-21(11)10-15-12(2)23-16(19-15)13-6-4-5-7-14(13)18/h4-7,11H,8-10H2,1-3H3/t11-/m1/s1
InChIKeyLQPQUXNJCRKOQM-LLVKDONJSA-N
XLogP2.97
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3R)-4-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1,3-dimethylpiperazin-2-one with MolForge

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Related Compounds

2-(2-chlorophenyl)-4-[[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-5-methyl-1,3-oxazole
CID 42453226
2-(2-chlorophenyl)-4-[[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-5-methyl-1,3-oxazole
CID 42453219
4-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1-phenylpiperazin-2-one
CID 25374674
(3S)-4-[[2-(2,3-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1-ethyl-3-methylpiperazin-2-one
CID 25278696
2-(2-chlorophenyl)-4-[(2,4-dimethylimidazol-1-yl)methyl]-5-methyl-1,3-oxazole
CID 56748666
(3S)-1-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-3-carboxamide
CID 95868173
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
N-[1-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrrolidin-3-yl]-N-methylacetamide
CID 70784562
[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methanamine;hydrochloride
CID 45156813
2-(2-chlorophenyl)-4-[[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methyl]-5-methyl-1,3-oxazole
CID 70759381
(3R)-1-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-3-carbonitrile
CID 95872425
2-(2-chlorophenyl)-5-methyl-4-[(2-pyridin-2-ylimidazol-1-yl)methyl]-1,3-oxazole
CID 56738899

Frequently Asked Questions

What is the IUPAC name of (3R)-4-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1,3-dimethylpiperazin-2-one?
The IUPAC name of (3R)-4-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1,3-dimethylpiperazin-2-one (CID 95872581) is (3R)-4-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1,3-dimethylpiperazin-2-one.
What is the SMILES notation for (3R)-4-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1,3-dimethylpiperazin-2-one?
The canonical SMILES for (3R)-4-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1,3-dimethylpiperazin-2-one is Cc1oc(-c2ccccc2Cl)nc1CN1CCN(C)C(=O)[C@H]1C.
What is the InChIKey of (3R)-4-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1,3-dimethylpiperazin-2-one?
The InChIKey is LQPQUXNJCRKOQM-LLVKDONJSA-N. The full InChI is InChI=1S/C17H20ClN3O2/c1-11-17(22)20(3)8-9-21(11)10-15-12(2)23-16(19-15)13-6-4-5-7-14(13)18/h4-7,11H,8-10H2,1-3H3/t11-/m1/s1.
What are the key properties of (3R)-4-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1,3-dimethylpiperazin-2-one?
(3R)-4-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1,3-dimethylpiperazin-2-one has a molecular weight of 333.82 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1,3-dimethylpiperazin-2-one is sourced from PubChem (CID 95872581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).