3-(4-methylphenyl)-5-(piperidin-1-ylmethyl)-2,5-dihydro-1,2-oxazole

C16H22N2O — CID 57178620

IUPAC3-(4-methylphenyl)-5-(piperidin-1-ylmethyl)-2,5-dihydro-1,2-oxazole
SMILESCc1ccc(C2=CC(CN3CCCCC3)ON2)cc1
InChIInChI=1S/C16H22N2O/c1-13-5-7-14(8-6-13)16-11-15(19-17-16)12-18-9-3-2-4-10-18/h5-8,11,15,17H,2-4,9-10,12H2,1H3
InChIKeyXMKCROYTGFLWDZ-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.73
Rot. Bonds3

About 3-(4-methylphenyl)-5-(piperidin-1-ylmethyl)-2,5-dihydro-1,2-oxazole

3-(4-methylphenyl)-5-(piperidin-1-ylmethyl)-2,5-dihydro-1,2-oxazole (PubChem CID 57178620) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is 3-(4-methylphenyl)-5-(piperidin-1-ylmethyl)-2,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name3-(4-methylphenyl)-5-(piperidin-1-ylmethyl)-2,5-dihydro-1,2-oxazole
PubChem CID57178620
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC Name3-(4-methylphenyl)-5-(piperidin-1-ylmethyl)-2,5-dihydro-1,2-oxazole
SMILESCc1ccc(C2=CC(CN3CCCCC3)ON2)cc1
InChIInChI=1S/C16H22N2O/c1-13-5-7-14(8-6-13)16-11-15(19-17-16)12-18-9-3-2-4-10-18/h5-8,11,15,17H,2-4,9-10,12H2,1H3
InChIKeyXMKCROYTGFLWDZ-UHFFFAOYSA-N
XLogP2.73
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[3-[4-(Trifluoromethyl)phenyl]-2,5-dihydro-1,2-oxazol-5-yl]methyl]morpholine
CID 56999532
(E)-1-[4-[[(2E,3Z)-2-ethylidene-3-prop-2-enylidenepyrrol-1-yl]methyl]-3-fluorophenyl]-N-(oxan-4-yloxy)prop-1-en-1-amine
CID 129238658
6-[dimethylamino(phenyl)methylidene]-N-ethoxycyclohexa-1,3-dien-1-amine
CID 53736280
6-benzylidene-N-[2-[di(propan-2-yl)amino]ethoxy]cyclohexen-1-amine
CID 56616499
N-[[3-[4-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-2,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide
CID 56985741
1-phenyl-N-(3-piperidin-1-ylpropoxy)hexa-1,3-dien-3-amine
CID 57011050
5-(Isothiocyanatomethyl)-3-(4-methylphenyl)-2,5-dihydro-1,2-oxazole
CID 57050486
4-(3-Phenyl-2,5-dihydro-1,2-oxazol-4-yl)morpholine
CID 57066823
5-(Azepan-1-ylmethyl)-3-(4-methylphenyl)-2,5-dihydro-1,2-oxazole
CID 57103816
N-[3-(4-benzylpiperazin-1-yl)propoxy]-6-butylidenecyclohexen-1-amine
CID 57152021
5-methyl-1-phenyl-N-(2-piperidin-1-ylethoxy)hexa-1,3-dien-3-amine
CID 57152279
4-[(3-Phenyl-2,5-dihydro-1,2-oxazol-5-yl)methyl]morpholine
CID 57164746

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-5-(piperidin-1-ylmethyl)-2,5-dihydro-1,2-oxazole?
The IUPAC name of 3-(4-methylphenyl)-5-(piperidin-1-ylmethyl)-2,5-dihydro-1,2-oxazole (CID 57178620) is 3-(4-methylphenyl)-5-(piperidin-1-ylmethyl)-2,5-dihydro-1,2-oxazole.
What is the SMILES notation for 3-(4-methylphenyl)-5-(piperidin-1-ylmethyl)-2,5-dihydro-1,2-oxazole?
The canonical SMILES for 3-(4-methylphenyl)-5-(piperidin-1-ylmethyl)-2,5-dihydro-1,2-oxazole is Cc1ccc(C2=CC(CN3CCCCC3)ON2)cc1.
What is the InChIKey of 3-(4-methylphenyl)-5-(piperidin-1-ylmethyl)-2,5-dihydro-1,2-oxazole?
The InChIKey is XMKCROYTGFLWDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-13-5-7-14(8-6-13)16-11-15(19-17-16)12-18-9-3-2-4-10-18/h5-8,11,15,17H,2-4,9-10,12H2,1H3.
What are the key properties of 3-(4-methylphenyl)-5-(piperidin-1-ylmethyl)-2,5-dihydro-1,2-oxazole?
3-(4-methylphenyl)-5-(piperidin-1-ylmethyl)-2,5-dihydro-1,2-oxazole has a molecular weight of 258.37 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-5-(piperidin-1-ylmethyl)-2,5-dihydro-1,2-oxazole is sourced from PubChem (CID 57178620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).