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

C16H21N3O — CID 110098343

IUPAC5-methyl-3-[(4-methyl-3-phenylpiperazin-1-yl)methyl]-1,2-oxazole
SMILESCc1cc(CN2CCN(C)C(c3ccccc3)C2)no1
InChIInChI=1S/C16H21N3O/c1-13-10-15(17-20-13)11-19-9-8-18(2)16(12-19)14-6-4-3-5-7-14/h3-7,10,16H,8-9,11-12H2,1-2H3
InChIKeyAPOVHXINAXPTSD-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.47
Rot. Bonds3

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

5-methyl-3-[(4-methyl-3-phenylpiperazin-1-yl)methyl]-1,2-oxazole (PubChem CID 110098343) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 5-methyl-3-[(4-methyl-3-phenylpiperazin-1-yl)methyl]-1,2-oxazole.

Molecular Properties

Compound Name5-methyl-3-[(4-methyl-3-phenylpiperazin-1-yl)methyl]-1,2-oxazole
PubChem CID110098343
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name5-methyl-3-[(4-methyl-3-phenylpiperazin-1-yl)methyl]-1,2-oxazole
SMILESCc1cc(CN2CCN(C)C(c3ccccc3)C2)no1
InChIInChI=1S/C16H21N3O/c1-13-10-15(17-20-13)11-19-9-8-18(2)16(12-19)14-6-4-3-5-7-14/h3-7,10,16H,8-9,11-12H2,1-2H3
InChIKeyAPOVHXINAXPTSD-UHFFFAOYSA-N
XLogP2.47
TPSA32.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3S)-4-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-phenylpiperazin-1-yl]ethanone
CID 125014450
3-[[(3R,4S)-3-benzyl-4-methoxypiperidin-1-yl]methyl]-5-methyl-1,2-oxazole
CID 124797918
3-[(5-ethyl-2-phenylpiperazin-1-yl)methyl]-5-methyl-1,2-oxazole
CID 64946738
3-[(3-tert-butylpyrrolidin-1-yl)methyl]-5-methyl-1,2-oxazole
CID 58235129
(2R)-1-methyl-2-phenyl-4-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]piperazine
CID 124757280
1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-ol
CID 62917538
(2S)-4-[[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]methyl]-1-methyl-2-phenylpiperazine
CID 29258251
3-[[3-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-5-methyl-1,2-oxazole
CID 172891629
N-methyl-N-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]-1-phenylmethanesulfonamide
CID 154882868
1-[(5-methyl-1,2-oxazol-3-yl)methyl]azetidin-3-amine
CID 65250257
3-[[(3S)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]methyl]-5-methyl-1,2-oxazole
CID 95602502
N-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]benzamide
CID 33106364

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[(4-methyl-3-phenylpiperazin-1-yl)methyl]-1,2-oxazole?
The IUPAC name of 5-methyl-3-[(4-methyl-3-phenylpiperazin-1-yl)methyl]-1,2-oxazole (CID 110098343) is 5-methyl-3-[(4-methyl-3-phenylpiperazin-1-yl)methyl]-1,2-oxazole.
What is the SMILES notation for 5-methyl-3-[(4-methyl-3-phenylpiperazin-1-yl)methyl]-1,2-oxazole?
The canonical SMILES for 5-methyl-3-[(4-methyl-3-phenylpiperazin-1-yl)methyl]-1,2-oxazole is Cc1cc(CN2CCN(C)C(c3ccccc3)C2)no1.
What is the InChIKey of 5-methyl-3-[(4-methyl-3-phenylpiperazin-1-yl)methyl]-1,2-oxazole?
The InChIKey is APOVHXINAXPTSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-13-10-15(17-20-13)11-19-9-8-18(2)16(12-19)14-6-4-3-5-7-14/h3-7,10,16H,8-9,11-12H2,1-2H3.
What are the key properties of 5-methyl-3-[(4-methyl-3-phenylpiperazin-1-yl)methyl]-1,2-oxazole?
5-methyl-3-[(4-methyl-3-phenylpiperazin-1-yl)methyl]-1,2-oxazole has a molecular weight of 271.36 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[(4-methyl-3-phenylpiperazin-1-yl)methyl]-1,2-oxazole is sourced from PubChem (CID 110098343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).