4-methyl-2-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]-1,3-oxazole

C17H23N3O — CID 22762519

IUPAC4-methyl-2-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]-1,3-oxazole
SMILESCc1cccc(N2CCN(CCc3nc(C)co3)CC2)c1
InChIInChI=1S/C17H23N3O/c1-14-4-3-5-16(12-14)20-10-8-19(9-11-20)7-6-17-18-15(2)13-21-17/h3-5,12-13H,6-11H2,1-2H3
InChIKeyKODCHWFXFKHBGI-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.66
Rot. Bonds4

About 4-methyl-2-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]-1,3-oxazole

4-methyl-2-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]-1,3-oxazole (PubChem CID 22762519) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 4-methyl-2-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]-1,3-oxazole.

Molecular Properties

Compound Name4-methyl-2-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]-1,3-oxazole
PubChem CID22762519
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name4-methyl-2-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]-1,3-oxazole
SMILESCc1cccc(N2CCN(CCc3nc(C)co3)CC2)c1
InChIInChI=1S/C17H23N3O/c1-14-4-3-5-16(12-14)20-10-8-19(9-11-20)7-6-17-18-15(2)13-21-17/h3-5,12-13H,6-11H2,1-2H3
InChIKeyKODCHWFXFKHBGI-UHFFFAOYSA-N
XLogP2.66
TPSA32.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methylphenyl)-4-propylpiperazine
CID 44570658
N-methyl-1-[5-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride
CID 120866934
2,6,8-trimethyl-3-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]pyrido[1,2-a]pyrimidin-4-one;dihydrochloride
CID 131710265
4-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]aniline
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CID 173113720
3-[4-(3-methylphenyl)piperazin-1-yl]propanoic acid;dihydrochloride
CID 43810604
1-[3-(4-methoxyphenyl)sulfanylpropyl]-4-(3-methylphenyl)piperazine
CID 10247707
1-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]cyclobutan-1-amine
CID 79844062
N',N'-dimethyl-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]ethane-1,2-diamine
CID 62573769
[3-[[4-(3-methylphenyl)piperazin-1-yl]methyl]phenyl]methanamine
CID 18070769
N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]benzamide
CID 30885244
1-amino-2-methyl-4-[4-(3-methylphenyl)piperazin-1-yl]butan-2-ol
CID 64818966

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]-1,3-oxazole?
The IUPAC name of 4-methyl-2-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]-1,3-oxazole (CID 22762519) is 4-methyl-2-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]-1,3-oxazole.
What is the SMILES notation for 4-methyl-2-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]-1,3-oxazole?
The canonical SMILES for 4-methyl-2-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]-1,3-oxazole is Cc1cccc(N2CCN(CCc3nc(C)co3)CC2)c1.
What is the InChIKey of 4-methyl-2-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]-1,3-oxazole?
The InChIKey is KODCHWFXFKHBGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-14-4-3-5-16(12-14)20-10-8-19(9-11-20)7-6-17-18-15(2)13-21-17/h3-5,12-13H,6-11H2,1-2H3.
What are the key properties of 4-methyl-2-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]-1,3-oxazole?
4-methyl-2-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]-1,3-oxazole has a molecular weight of 285.39 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]-1,3-oxazole is sourced from PubChem (CID 22762519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).