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

C21H20ClN3O2 — CID 25374674

IUPAC4-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1-phenylpiperazin-2-one
SMILESCc1oc(-c2ccccc2Cl)nc1CN1CCN(c2ccccc2)C(=O)C1
InChIInChI=1S/C21H20ClN3O2/c1-15-19(23-21(27-15)17-9-5-6-10-18(17)22)13-24-11-12-25(20(26)14-24)16-7-3-2-4-8-16/h2-10H,11-14H2,1H3
InChIKeyZNJWDWZXCGCPIV-UHFFFAOYSA-N
MW381.86 g/mol
LogP4.15
Rot. Bonds4

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

4-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1-phenylpiperazin-2-one (PubChem CID 25374674) has the molecular formula C21H20ClN3O2 and a molecular weight of 381.86 g/mol. Its IUPAC name is 4-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1-phenylpiperazin-2-one.

Molecular Properties

Compound Name4-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1-phenylpiperazin-2-one
PubChem CID25374674
Molecular FormulaC21H20ClN3O2
Molecular Weight381.86 g/mol
Exact Mass381.12
IUPAC Name4-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1-phenylpiperazin-2-one
SMILESCc1oc(-c2ccccc2Cl)nc1CN1CCN(c2ccccc2)C(=O)C1
InChIInChI=1S/C21H20ClN3O2/c1-15-19(23-21(27-15)17-9-5-6-10-18(17)22)13-24-11-12-25(20(26)14-24)16-7-3-2-4-8-16/h2-10H,11-14H2,1H3
InChIKeyZNJWDWZXCGCPIV-UHFFFAOYSA-N
XLogP4.15
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.86
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]-1-phenylpiperazin-2-one
CID 29026134
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
2-(2-chlorophenyl)-4-[[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methyl]-5-methyl-1,3-oxazole
CID 70759381
(3R)-4-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1,3-dimethylpiperazin-2-one
CID 95872581
(3S)-1-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-3-carboxamide
CID 95868173
N-[1-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrrolidin-3-yl]-N-methylacetamide
CID 70784562
1-(3-methoxyphenyl)-4-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]piperazin-2-one
CID 29253890
4-[[4-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazin-1-yl]methyl]-6-ethylchromen-2-one
CID 17251288
(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)-4-[[4-(2-methoxyphenoxy)piperidin-1-yl]methyl]-5-methyl-1,3-oxazole
CID 42245325
3-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-5,7-dimethyl-1-phenylpyrido[2,3-d]pyrimidine-2,4-dione
CID 17250495

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1-phenylpiperazin-2-one?
The IUPAC name of 4-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1-phenylpiperazin-2-one (CID 25374674) is 4-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1-phenylpiperazin-2-one.
What is the SMILES notation for 4-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1-phenylpiperazin-2-one?
The canonical SMILES for 4-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1-phenylpiperazin-2-one is Cc1oc(-c2ccccc2Cl)nc1CN1CCN(c2ccccc2)C(=O)C1.
What is the InChIKey of 4-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1-phenylpiperazin-2-one?
The InChIKey is ZNJWDWZXCGCPIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O2/c1-15-19(23-21(27-15)17-9-5-6-10-18(17)22)13-24-11-12-25(20(26)14-24)16-7-3-2-4-8-16/h2-10H,11-14H2,1H3.
What are the key properties of 4-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1-phenylpiperazin-2-one?
4-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1-phenylpiperazin-2-one has a molecular weight of 381.86 g/mol, XLogP of 4.15, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1-phenylpiperazin-2-one is sourced from PubChem (CID 25374674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).