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

C15H19N3O — CID 22762631

IUPAC5-methyl-2-[(4-phenylpiperazin-1-yl)methyl]-1,3-oxazole
SMILESCc1cnc(CN2CCN(c3ccccc3)CC2)o1
InChIInChI=1S/C15H19N3O/c1-13-11-16-15(19-13)12-17-7-9-18(10-8-17)14-5-3-2-4-6-14/h2-6,11H,7-10,12H2,1H3
InChIKeyMOECFWIZGBWLIT-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.31
Rot. Bonds3

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

5-methyl-2-[(4-phenylpiperazin-1-yl)methyl]-1,3-oxazole (PubChem CID 22762631) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 5-methyl-2-[(4-phenylpiperazin-1-yl)methyl]-1,3-oxazole.

Molecular Properties

Compound Name5-methyl-2-[(4-phenylpiperazin-1-yl)methyl]-1,3-oxazole
PubChem CID22762631
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name5-methyl-2-[(4-phenylpiperazin-1-yl)methyl]-1,3-oxazole
SMILESCc1cnc(CN2CCN(c3ccccc3)CC2)o1
InChIInChI=1S/C15H19N3O/c1-13-11-16-15(19-13)12-17-7-9-18(10-8-17)14-5-3-2-4-6-14/h2-6,11H,7-10,12H2,1H3
InChIKeyMOECFWIZGBWLIT-UHFFFAOYSA-N
XLogP2.31
TPSA32.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3-[4-[(5-methyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-1-phenylpyrrolidin-2-one
CID 124505781
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-phenylpiperidin-4-amine
CID 103096785
2-[[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]methyl]-5-methyl-1,3-oxazole
CID 126893085
5-[(4-phenylpiperazin-1-yl)methyl]-1,3-thiazol-2-amine
CID 79015163
2-benzyl-5-[(4-phenylpiperazin-1-yl)methyl]-1,3,4-oxadiazole
CID 110653301
2-cyclopropyl-5-[(4-phenylpiperazin-1-yl)methyl]-1,3,4-oxadiazole
CID 47520325
1-phenyl-4-[(1-phenylimidazol-2-yl)methyl]piperazine
CID 141118579
1-phenyl-4-(pyridin-2-ylmethyl)piperazine
CID 1090338
5-(3-chlorophenyl)-2-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-1,3-oxazole
CID 78808140
(2R)-2-(3-chlorophenyl)-2-[4-[(5-methyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]ethanol
CID 97226785
2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-5-(4-methoxyphenyl)-1,3-oxazole
CID 48631704
[(3R,4R)-1-[(5-methyl-1,3-oxazol-2-yl)methyl]-4-phenylpyrrolidin-3-yl]methanamine;dihydrochloride
CID 120758945

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[(4-phenylpiperazin-1-yl)methyl]-1,3-oxazole?
The IUPAC name of 5-methyl-2-[(4-phenylpiperazin-1-yl)methyl]-1,3-oxazole (CID 22762631) is 5-methyl-2-[(4-phenylpiperazin-1-yl)methyl]-1,3-oxazole.
What is the SMILES notation for 5-methyl-2-[(4-phenylpiperazin-1-yl)methyl]-1,3-oxazole?
The canonical SMILES for 5-methyl-2-[(4-phenylpiperazin-1-yl)methyl]-1,3-oxazole is Cc1cnc(CN2CCN(c3ccccc3)CC2)o1.
What is the InChIKey of 5-methyl-2-[(4-phenylpiperazin-1-yl)methyl]-1,3-oxazole?
The InChIKey is MOECFWIZGBWLIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-13-11-16-15(19-13)12-17-7-9-18(10-8-17)14-5-3-2-4-6-14/h2-6,11H,7-10,12H2,1H3.
What are the key properties of 5-methyl-2-[(4-phenylpiperazin-1-yl)methyl]-1,3-oxazole?
5-methyl-2-[(4-phenylpiperazin-1-yl)methyl]-1,3-oxazole has a molecular weight of 257.34 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[(4-phenylpiperazin-1-yl)methyl]-1,3-oxazole is sourced from PubChem (CID 22762631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).