[4-(2,5-dimethylphenyl)piperazin-1-yl]-(2-methyl-4-phenyl-1,3-oxazol-5-yl)methanone

C23H25N3O2 — CID 71511296

IUPAC[4-(2,5-dimethylphenyl)piperazin-1-yl]-(2-methyl-4-phenyl-1,3-oxazol-5-yl)methanone
SMILESCc1ccc(C)c(N2CCN(C(=O)c3oc(C)nc3-c3ccccc3)CC2)c1
InChIInChI=1S/C23H25N3O2/c1-16-9-10-17(2)20(15-16)25-11-13-26(14-12-25)23(27)22-21(24-18(3)28-22)19-7-5-4-6-8-19/h4-10,15H,11-14H2,1-3H3
InChIKeyGEPHIDPYBPBJPM-UHFFFAOYSA-N
MW375.47 g/mol
LogP4.23
Rot. Bonds3

About [4-(2,5-dimethylphenyl)piperazin-1-yl]-(2-methyl-4-phenyl-1,3-oxazol-5-yl)methanone

[4-(2,5-dimethylphenyl)piperazin-1-yl]-(2-methyl-4-phenyl-1,3-oxazol-5-yl)methanone (PubChem CID 71511296) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is [4-(2,5-dimethylphenyl)piperazin-1-yl]-(2-methyl-4-phenyl-1,3-oxazol-5-yl)methanone.

Molecular Properties

Compound Name[4-(2,5-dimethylphenyl)piperazin-1-yl]-(2-methyl-4-phenyl-1,3-oxazol-5-yl)methanone
PubChem CID71511296
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name[4-(2,5-dimethylphenyl)piperazin-1-yl]-(2-methyl-4-phenyl-1,3-oxazol-5-yl)methanone
SMILESCc1ccc(C)c(N2CCN(C(=O)c3oc(C)nc3-c3ccccc3)CC2)c1
InChIInChI=1S/C23H25N3O2/c1-16-9-10-17(2)20(15-16)25-11-13-26(14-12-25)23(27)22-21(24-18(3)28-22)19-7-5-4-6-8-19/h4-10,15H,11-14H2,1-3H3
InChIKeyGEPHIDPYBPBJPM-UHFFFAOYSA-N
XLogP4.23
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-methyl-4-phenyl-1,3-oxazol-5-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 71511489
[4-(3-chlorophenyl)piperazin-1-yl]-[4-(4-fluorophenyl)-2-methyl-1,3-oxazol-5-yl]methanone
CID 71511394
[4-(2,5-dimethylphenyl)piperazin-1-yl]-imidazo[1,2-a]pyridin-2-ylmethanone
CID 87051259
1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-phenylethanone
CID 113075441
2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-4-phenylquinazoline
CID 47069164
[4-(4-chlorophenyl)piperazin-1-yl]-[4-(4-fluorophenyl)-2-methyl-1,3-oxazol-5-yl]methanone
CID 71511351
[4-(2-fluorophenyl)piperazin-1-yl]-(2-methyl-4-propan-2-yl-1,3-oxazol-5-yl)methanone
CID 110684687
[6-bromo-2-(4-methylphenyl)quinolin-4-yl]-[4-(2,5-dimethylphenyl)piperazin-1-yl]methanone
CID 5228625
5-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-3,6-dimethylfuro[2,3-d]pyrimidin-4-one
CID 53209286
[4-(2,5-dimethylphenyl)piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 113075435
[4-(2,5-dimethylphenyl)piperazin-1-yl]-[1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]piperidin-4-yl]methanone
CID 50767346
[3-(4-bromophenyl)-1H-pyrazol-5-yl]-[4-(2,5-dimethylphenyl)piperazin-1-yl]methanone
CID 20953293

Frequently Asked Questions

What is the IUPAC name of [4-(2,5-dimethylphenyl)piperazin-1-yl]-(2-methyl-4-phenyl-1,3-oxazol-5-yl)methanone?
The IUPAC name of [4-(2,5-dimethylphenyl)piperazin-1-yl]-(2-methyl-4-phenyl-1,3-oxazol-5-yl)methanone (CID 71511296) is [4-(2,5-dimethylphenyl)piperazin-1-yl]-(2-methyl-4-phenyl-1,3-oxazol-5-yl)methanone.
What is the SMILES notation for [4-(2,5-dimethylphenyl)piperazin-1-yl]-(2-methyl-4-phenyl-1,3-oxazol-5-yl)methanone?
The canonical SMILES for [4-(2,5-dimethylphenyl)piperazin-1-yl]-(2-methyl-4-phenyl-1,3-oxazol-5-yl)methanone is Cc1ccc(C)c(N2CCN(C(=O)c3oc(C)nc3-c3ccccc3)CC2)c1.
What is the InChIKey of [4-(2,5-dimethylphenyl)piperazin-1-yl]-(2-methyl-4-phenyl-1,3-oxazol-5-yl)methanone?
The InChIKey is GEPHIDPYBPBJPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-16-9-10-17(2)20(15-16)25-11-13-26(14-12-25)23(27)22-21(24-18(3)28-22)19-7-5-4-6-8-19/h4-10,15H,11-14H2,1-3H3.
What are the key properties of [4-(2,5-dimethylphenyl)piperazin-1-yl]-(2-methyl-4-phenyl-1,3-oxazol-5-yl)methanone?
[4-(2,5-dimethylphenyl)piperazin-1-yl]-(2-methyl-4-phenyl-1,3-oxazol-5-yl)methanone has a molecular weight of 375.47 g/mol, XLogP of 4.23, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,5-dimethylphenyl)piperazin-1-yl]-(2-methyl-4-phenyl-1,3-oxazol-5-yl)methanone is sourced from PubChem (CID 71511296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).