4-[(3E)-hexa-1,3,5-trien-3-yl]-5-methyl-2-piperidin-4-yl-1,3-oxazole

C15H20N2O — CID 143791787

IUPAC4-[(3E)-hexa-1,3,5-trien-3-yl]-5-methyl-2-piperidin-4-yl-1,3-oxazole
SMILESC=C/C=C(\C=C)c1nc(C2CCNCC2)oc1C
InChIInChI=1S/C15H20N2O/c1-4-6-12(5-2)14-11(3)18-15(17-14)13-7-9-16-10-8-13/h4-6,13,16H,1-2,7-10H2,3H3/b12-6+
InChIKeyXAHCMGOODGBWDX-WUXMJOGZSA-N
MW244.34 g/mol
LogP3.21
Rot. Bonds4

About 4-[(3E)-hexa-1,3,5-trien-3-yl]-5-methyl-2-piperidin-4-yl-1,3-oxazole

4-[(3E)-hexa-1,3,5-trien-3-yl]-5-methyl-2-piperidin-4-yl-1,3-oxazole (PubChem CID 143791787) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 4-[(3E)-hexa-1,3,5-trien-3-yl]-5-methyl-2-piperidin-4-yl-1,3-oxazole.

Molecular Properties

Compound Name4-[(3E)-hexa-1,3,5-trien-3-yl]-5-methyl-2-piperidin-4-yl-1,3-oxazole
PubChem CID143791787
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name4-[(3E)-hexa-1,3,5-trien-3-yl]-5-methyl-2-piperidin-4-yl-1,3-oxazole
SMILESC=C/C=C(\C=C)c1nc(C2CCNCC2)oc1C
InChIInChI=1S/C15H20N2O/c1-4-6-12(5-2)14-11(3)18-15(17-14)13-7-9-16-10-8-13/h4-6,13,16H,1-2,7-10H2,3H3/b12-6+
InChIKeyXAHCMGOODGBWDX-WUXMJOGZSA-N
XLogP3.21
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 4-[(3E)-hexa-1,3,5-trien-3-yl]-5-methyl-2-piperidin-4-yl-1,3-oxazole with MolForge

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Related Compounds

5-Fluoro-2-piperidin-4-yl-6,7-dihydro-1,3-benzoxazole
CID 89672712
2-Piperidin-4-yl-4-propan-2-yl-5-(trifluoromethyl)-1,3-oxazole
CID 105514481
2,4-Dimethyl-5-piperidin-4-yl-1,3-oxazole
CID 82408853
5-ethenyl-2-piperidin-4-yl-4-[(Z)-prop-1-enyl]-1,3-oxazole
CID 89901258
4-Buta-1,3-dienyl-5-methyl-2-(piperazin-1-ylmethyl)-1,3-oxazole
CID 123142005
4-[(Z)-3-chloroprop-1-enyl]-5-methyl-2-piperidin-4-yl-1,3-oxazole
CID 143792230
4-Ethenyl-2-[(2-methylpiperazin-1-yl)methyl]-5-propyl-1,3-oxazole
CID 144144720
carbanide;2-piperidin-4-yl-5H-1,3-benzoxazol-5-ide;tungsten(2+)
CID 155572340
4-Cyclohepta-1,3,6-trien-1-yl-5-methyl-2-propyl-1,3-oxazole
CID 156301088
5-Methyl-4-(4-methylcyclohexa-1,5-dien-1-yl)-2-piperidin-4-yl-1,3-oxazole
CID 163926999
2-[(2Z,4Z)-2-ethenylhexa-2,4-dienyl]-4-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-5-methyl-1,3-oxazole
CID 170255251
5-Ethyl-4-methyl-2-piperidin-4-yl-1,3-oxazole
CID 105448336

Frequently Asked Questions

What is the IUPAC name of 4-[(3E)-hexa-1,3,5-trien-3-yl]-5-methyl-2-piperidin-4-yl-1,3-oxazole?
The IUPAC name of 4-[(3E)-hexa-1,3,5-trien-3-yl]-5-methyl-2-piperidin-4-yl-1,3-oxazole (CID 143791787) is 4-[(3E)-hexa-1,3,5-trien-3-yl]-5-methyl-2-piperidin-4-yl-1,3-oxazole.
What is the SMILES notation for 4-[(3E)-hexa-1,3,5-trien-3-yl]-5-methyl-2-piperidin-4-yl-1,3-oxazole?
The canonical SMILES for 4-[(3E)-hexa-1,3,5-trien-3-yl]-5-methyl-2-piperidin-4-yl-1,3-oxazole is C=C/C=C(\C=C)c1nc(C2CCNCC2)oc1C.
What is the InChIKey of 4-[(3E)-hexa-1,3,5-trien-3-yl]-5-methyl-2-piperidin-4-yl-1,3-oxazole?
The InChIKey is XAHCMGOODGBWDX-WUXMJOGZSA-N. The full InChI is InChI=1S/C15H20N2O/c1-4-6-12(5-2)14-11(3)18-15(17-14)13-7-9-16-10-8-13/h4-6,13,16H,1-2,7-10H2,3H3/b12-6+.
What are the key properties of 4-[(3E)-hexa-1,3,5-trien-3-yl]-5-methyl-2-piperidin-4-yl-1,3-oxazole?
4-[(3E)-hexa-1,3,5-trien-3-yl]-5-methyl-2-piperidin-4-yl-1,3-oxazole has a molecular weight of 244.34 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3E)-hexa-1,3,5-trien-3-yl]-5-methyl-2-piperidin-4-yl-1,3-oxazole is sourced from PubChem (CID 143791787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).