3,5-dimethyl-4-[(3-phenylpiperazin-1-yl)methyl]-1,2-oxazole

C16H21N3O — CID 79238201

IUPAC3,5-dimethyl-4-[(3-phenylpiperazin-1-yl)methyl]-1,2-oxazole
SMILESCc1noc(C)c1CN1CCNC(c2ccccc2)C1
InChIInChI=1S/C16H21N3O/c1-12-15(13(2)20-18-12)10-19-9-8-17-16(11-19)14-6-4-3-5-7-14/h3-7,16-17H,8-11H2,1-2H3
InChIKeyMDZFUTKSVSISCA-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.44
Rot. Bonds3

About 3,5-dimethyl-4-[(3-phenylpiperazin-1-yl)methyl]-1,2-oxazole

3,5-dimethyl-4-[(3-phenylpiperazin-1-yl)methyl]-1,2-oxazole (PubChem CID 79238201) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 3,5-dimethyl-4-[(3-phenylpiperazin-1-yl)methyl]-1,2-oxazole.

Molecular Properties

Compound Name3,5-dimethyl-4-[(3-phenylpiperazin-1-yl)methyl]-1,2-oxazole
PubChem CID79238201
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name3,5-dimethyl-4-[(3-phenylpiperazin-1-yl)methyl]-1,2-oxazole
SMILESCc1noc(C)c1CN1CCNC(c2ccccc2)C1
InChIInChI=1S/C16H21N3O/c1-12-15(13(2)20-18-12)10-19-9-8-17-16(11-19)14-6-4-3-5-7-14/h3-7,16-17H,8-11H2,1-2H3
InChIKeyMDZFUTKSVSISCA-UHFFFAOYSA-N
XLogP2.44
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-phenylmorpholine
CID 51076931
5-ethyl-3-[[(3S)-3-phenylpiperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 124757385
(3S)-1-benzyl-3-phenylpiperazine
CID 51910764
3-[(3-phenylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
CID 106408712
1-[(5-methylpyrazin-2-yl)methyl]-3-phenyl-1,4-diazepane
CID 64949388
4-[(1-benzyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl)methyl]-3,5-dimethyl-1,2-oxazole
CID 75461514
[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)methanone
CID 55862172
4-[[(3R,4R)-3-benzyl-4-methoxypiperidin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole
CID 124793779
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-3-ol
CID 56828639
1-(2,2-difluoroethyl)-3-phenylpiperazine
CID 64834472
3,5-dimethyl-4-[[(3R)-3-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]-1,2-oxazole
CID 95110918
1-(2-ethylsulfanylethyl)-3-phenylpiperazine
CID 113474467

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-[(3-phenylpiperazin-1-yl)methyl]-1,2-oxazole?
The IUPAC name of 3,5-dimethyl-4-[(3-phenylpiperazin-1-yl)methyl]-1,2-oxazole (CID 79238201) is 3,5-dimethyl-4-[(3-phenylpiperazin-1-yl)methyl]-1,2-oxazole.
What is the SMILES notation for 3,5-dimethyl-4-[(3-phenylpiperazin-1-yl)methyl]-1,2-oxazole?
The canonical SMILES for 3,5-dimethyl-4-[(3-phenylpiperazin-1-yl)methyl]-1,2-oxazole is Cc1noc(C)c1CN1CCNC(c2ccccc2)C1.
What is the InChIKey of 3,5-dimethyl-4-[(3-phenylpiperazin-1-yl)methyl]-1,2-oxazole?
The InChIKey is MDZFUTKSVSISCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-12-15(13(2)20-18-12)10-19-9-8-17-16(11-19)14-6-4-3-5-7-14/h3-7,16-17H,8-11H2,1-2H3.
What are the key properties of 3,5-dimethyl-4-[(3-phenylpiperazin-1-yl)methyl]-1,2-oxazole?
3,5-dimethyl-4-[(3-phenylpiperazin-1-yl)methyl]-1,2-oxazole has a molecular weight of 271.36 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-[(3-phenylpiperazin-1-yl)methyl]-1,2-oxazole is sourced from PubChem (CID 79238201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).