4-[(Z)-3-chloroprop-1-enyl]-5-methyl-2-piperidin-4-yl-1,3-oxazole

C12H17ClN2O — CID 143792230

IUPAC4-[(Z)-3-chloroprop-1-enyl]-5-methyl-2-piperidin-4-yl-1,3-oxazole
SMILESCc1oc(C2CCNCC2)nc1/C=C\CCl
InChIInChI=1S/C12H17ClN2O/c1-9-11(3-2-6-13)15-12(16-9)10-4-7-14-8-5-10/h2-3,10,14H,4-8H2,1H3/b3-2-
InChIKeyQSAXNXNJVDCHOY-IHWYPQMZSA-N
MW240.73 g/mol
LogP2.70
Rot. Bonds3

About 4-[(Z)-3-chloroprop-1-enyl]-5-methyl-2-piperidin-4-yl-1,3-oxazole

4-[(Z)-3-chloroprop-1-enyl]-5-methyl-2-piperidin-4-yl-1,3-oxazole (PubChem CID 143792230) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is 4-[(Z)-3-chloroprop-1-enyl]-5-methyl-2-piperidin-4-yl-1,3-oxazole.

Molecular Properties

Compound Name4-[(Z)-3-chloroprop-1-enyl]-5-methyl-2-piperidin-4-yl-1,3-oxazole
PubChem CID143792230
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC Name4-[(Z)-3-chloroprop-1-enyl]-5-methyl-2-piperidin-4-yl-1,3-oxazole
SMILESCc1oc(C2CCNCC2)nc1/C=C\CCl
InChIInChI=1S/C12H17ClN2O/c1-9-11(3-2-6-13)15-12(16-9)10-4-7-14-8-5-10/h2-3,10,14H,4-8H2,1H3/b3-2-
InChIKeyQSAXNXNJVDCHOY-IHWYPQMZSA-N
XLogP2.70
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[(Z)-3-chloroprop-1-enyl]-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
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
chloromethane;ethane;5-ethenyl-2-piperidin-4-yl-4-[(Z)-prop-1-enyl]-1,3-oxazole;2-pent-1-en-2-ylsulfanyl-1-piperidin-4-ylprop-2-en-1-one
CID 142247486
4-[(3E)-hexa-1,3,5-trien-3-yl]-5-methyl-2-piperidin-4-yl-1,3-oxazole
CID 143791787
carbanide;2-piperidin-4-yl-5H-1,3-benzoxazol-5-ide;tungsten(2+)
CID 155572340
5-Methyl-4-(4-methylcyclohexa-1,5-dien-1-yl)-2-piperidin-4-yl-1,3-oxazole
CID 163926999

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-3-chloroprop-1-enyl]-5-methyl-2-piperidin-4-yl-1,3-oxazole?
The IUPAC name of 4-[(Z)-3-chloroprop-1-enyl]-5-methyl-2-piperidin-4-yl-1,3-oxazole (CID 143792230) is 4-[(Z)-3-chloroprop-1-enyl]-5-methyl-2-piperidin-4-yl-1,3-oxazole.
What is the SMILES notation for 4-[(Z)-3-chloroprop-1-enyl]-5-methyl-2-piperidin-4-yl-1,3-oxazole?
The canonical SMILES for 4-[(Z)-3-chloroprop-1-enyl]-5-methyl-2-piperidin-4-yl-1,3-oxazole is Cc1oc(C2CCNCC2)nc1/C=C\CCl.
What is the InChIKey of 4-[(Z)-3-chloroprop-1-enyl]-5-methyl-2-piperidin-4-yl-1,3-oxazole?
The InChIKey is QSAXNXNJVDCHOY-IHWYPQMZSA-N. The full InChI is InChI=1S/C12H17ClN2O/c1-9-11(3-2-6-13)15-12(16-9)10-4-7-14-8-5-10/h2-3,10,14H,4-8H2,1H3/b3-2-.
What are the key properties of 4-[(Z)-3-chloroprop-1-enyl]-5-methyl-2-piperidin-4-yl-1,3-oxazole?
4-[(Z)-3-chloroprop-1-enyl]-5-methyl-2-piperidin-4-yl-1,3-oxazole has a molecular weight of 240.73 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-3-chloroprop-1-enyl]-5-methyl-2-piperidin-4-yl-1,3-oxazole is sourced from PubChem (CID 143792230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).