3-[[(3S)-3-methylpiperazin-1-yl]methyl]-5-phenyl-1,2-oxazole

C15H19N3O — CID 104977337

IUPAC3-[[(3S)-3-methylpiperazin-1-yl]methyl]-5-phenyl-1,2-oxazole
SMILESC[C@H]1CN(Cc2cc(-c3ccccc3)on2)CCN1
InChIInChI=1S/C15H19N3O/c1-12-10-18(8-7-16-12)11-14-9-15(19-17-14)13-5-3-2-4-6-13/h2-6,9,12,16H,7-8,10-11H2,1H3/t12-/m0/s1
InChIKeyGQDGRIGDTFIWGY-LBPRGKRZSA-N
MW257.34 g/mol
LogP2.14
Rot. Bonds3

About 3-[[(3S)-3-methylpiperazin-1-yl]methyl]-5-phenyl-1,2-oxazole

3-[[(3S)-3-methylpiperazin-1-yl]methyl]-5-phenyl-1,2-oxazole (PubChem CID 104977337) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 3-[[(3S)-3-methylpiperazin-1-yl]methyl]-5-phenyl-1,2-oxazole.

Molecular Properties

Compound Name3-[[(3S)-3-methylpiperazin-1-yl]methyl]-5-phenyl-1,2-oxazole
PubChem CID104977337
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name3-[[(3S)-3-methylpiperazin-1-yl]methyl]-5-phenyl-1,2-oxazole
SMILESC[C@H]1CN(Cc2cc(-c3ccccc3)on2)CCN1
InChIInChI=1S/C15H19N3O/c1-12-10-18(8-7-16-12)11-14-9-15(19-17-14)13-5-3-2-4-6-13/h2-6,9,12,16H,7-8,10-11H2,1H3/t12-/m0/s1
InChIKeyGQDGRIGDTFIWGY-LBPRGKRZSA-N
XLogP2.14
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[(3S)-3-methylpiperazin-1-yl]methyl]-2-phenyl-1,3-thiazole
CID 103885656
4-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperazin-2-one
CID 8548455
N-methyl-1-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidin-4-amine
CID 120966206
3-[[(2S,6R)-2,6-dimethylpiperazin-1-yl]methyl]-5-phenyl-1,2-oxazole
CID 120966966
(3S)-1-benzyl-3-methylpiperazine;hydrochloride
CID 52982949
1-benzyl-3-methylpiperazine;ethane
CID 166543639
3-methyl-1-(pyridin-2-ylmethyl)piperazine;hydrochloride
CID 71639374
1-[1-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]ethanol
CID 106837511
2-[[(3R)-3-methylpiperazin-1-yl]methyl]quinoline
CID 113345872
3-methyl-1-[(1-phenyltriazol-4-yl)methyl]piperazine
CID 119924639
3-(4-methylphenyl)-5-[(3-methylpiperazin-1-yl)methyl]-1,2-oxazole
CID 65449393
3,3-dimethyl-1-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidin-4-amine;hydrochloride
CID 120967325

Frequently Asked Questions

What is the IUPAC name of 3-[[(3S)-3-methylpiperazin-1-yl]methyl]-5-phenyl-1,2-oxazole?
The IUPAC name of 3-[[(3S)-3-methylpiperazin-1-yl]methyl]-5-phenyl-1,2-oxazole (CID 104977337) is 3-[[(3S)-3-methylpiperazin-1-yl]methyl]-5-phenyl-1,2-oxazole.
What is the SMILES notation for 3-[[(3S)-3-methylpiperazin-1-yl]methyl]-5-phenyl-1,2-oxazole?
The canonical SMILES for 3-[[(3S)-3-methylpiperazin-1-yl]methyl]-5-phenyl-1,2-oxazole is C[C@H]1CN(Cc2cc(-c3ccccc3)on2)CCN1.
What is the InChIKey of 3-[[(3S)-3-methylpiperazin-1-yl]methyl]-5-phenyl-1,2-oxazole?
The InChIKey is GQDGRIGDTFIWGY-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H19N3O/c1-12-10-18(8-7-16-12)11-14-9-15(19-17-14)13-5-3-2-4-6-13/h2-6,9,12,16H,7-8,10-11H2,1H3/t12-/m0/s1.
What are the key properties of 3-[[(3S)-3-methylpiperazin-1-yl]methyl]-5-phenyl-1,2-oxazole?
3-[[(3S)-3-methylpiperazin-1-yl]methyl]-5-phenyl-1,2-oxazole has a molecular weight of 257.34 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3S)-3-methylpiperazin-1-yl]methyl]-5-phenyl-1,2-oxazole is sourced from PubChem (CID 104977337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).