2-[[4-(3-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-5-propan-2-yl-1,3,4-oxadiazole

C18H23N3O2 — CID 75369283

IUPAC2-[[4-(3-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-5-propan-2-yl-1,3,4-oxadiazole
SMILESCOc1cccc(C2=CCN(Cc3nnc(C(C)C)o3)CC2)c1
InChIInChI=1S/C18H23N3O2/c1-13(2)18-20-19-17(23-18)12-21-9-7-14(8-10-21)15-5-4-6-16(11-15)22-3/h4-7,11,13H,8-10,12H2,1-3H3
InChIKeyFWKVPTNLULPNPM-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.49
Rot. Bonds5

About 2-[[4-(3-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-5-propan-2-yl-1,3,4-oxadiazole

2-[[4-(3-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-5-propan-2-yl-1,3,4-oxadiazole (PubChem CID 75369283) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 2-[[4-(3-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-5-propan-2-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[[4-(3-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-5-propan-2-yl-1,3,4-oxadiazole
PubChem CID75369283
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name2-[[4-(3-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-5-propan-2-yl-1,3,4-oxadiazole
SMILESCOc1cccc(C2=CCN(Cc3nnc(C(C)C)o3)CC2)c1
InChIInChI=1S/C18H23N3O2/c1-13(2)18-20-19-17(23-18)12-21-9-7-14(8-10-21)15-5-4-6-16(11-15)22-3/h4-7,11,13H,8-10,12H2,1-3H3
InChIKeyFWKVPTNLULPNPM-UHFFFAOYSA-N
XLogP3.49
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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1-methyl-4-(3-propan-2-yloxyphenyl)-3,6-dihydro-2H-pyridine
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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(3-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-5-propan-2-yl-1,3,4-oxadiazole?
The IUPAC name of 2-[[4-(3-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-5-propan-2-yl-1,3,4-oxadiazole (CID 75369283) is 2-[[4-(3-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-5-propan-2-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[[4-(3-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-5-propan-2-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-[[4-(3-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-5-propan-2-yl-1,3,4-oxadiazole is COc1cccc(C2=CCN(Cc3nnc(C(C)C)o3)CC2)c1.
What is the InChIKey of 2-[[4-(3-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-5-propan-2-yl-1,3,4-oxadiazole?
The InChIKey is FWKVPTNLULPNPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-13(2)18-20-19-17(23-18)12-21-9-7-14(8-10-21)15-5-4-6-16(11-15)22-3/h4-7,11,13H,8-10,12H2,1-3H3.
What are the key properties of 2-[[4-(3-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-5-propan-2-yl-1,3,4-oxadiazole?
2-[[4-(3-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-5-propan-2-yl-1,3,4-oxadiazole has a molecular weight of 313.40 g/mol, XLogP of 3.49, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(3-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-5-propan-2-yl-1,3,4-oxadiazole is sourced from PubChem (CID 75369283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).