1-[[(5R)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-4-phenylpiperidine-4-carbonitrile

C18H23N3O — CID 124751975

IUPAC1-[[(5R)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-4-phenylpiperidine-4-carbonitrile
SMILESCCC1=NO[C@@H](CN2CCC(C#N)(c3ccccc3)CC2)C1
InChIInChI=1S/C18H23N3O/c1-2-16-12-17(22-20-16)13-21-10-8-18(14-19,9-11-21)15-6-4-3-5-7-15/h3-7,17H,2,8-13H2,1H3/t17-/m1/s1
InChIKeyIEDPOIRVUVOMLU-QGZVFWFLSA-N
MW297.40 g/mol
LogP3.10
Rot. Bonds4

About 1-[[(5R)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-4-phenylpiperidine-4-carbonitrile

1-[[(5R)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-4-phenylpiperidine-4-carbonitrile (PubChem CID 124751975) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is 1-[[(5R)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-4-phenylpiperidine-4-carbonitrile.

Molecular Properties

Compound Name1-[[(5R)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-4-phenylpiperidine-4-carbonitrile
PubChem CID124751975
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name1-[[(5R)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-4-phenylpiperidine-4-carbonitrile
SMILESCCC1=NO[C@@H](CN2CCC(C#N)(c3ccccc3)CC2)C1
InChIInChI=1S/C18H23N3O/c1-2-16-12-17(22-20-16)13-21-10-8-18(14-19,9-11-21)15-6-4-3-5-7-15/h3-7,17H,2,8-13H2,1H3/t17-/m1/s1
InChIKeyIEDPOIRVUVOMLU-QGZVFWFLSA-N
XLogP3.10
TPSA48.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[(5R)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-4-phenylpiperidine-4-carbonitrile?
The IUPAC name of 1-[[(5R)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-4-phenylpiperidine-4-carbonitrile (CID 124751975) is 1-[[(5R)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-4-phenylpiperidine-4-carbonitrile.
What is the SMILES notation for 1-[[(5R)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-4-phenylpiperidine-4-carbonitrile?
The canonical SMILES for 1-[[(5R)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-4-phenylpiperidine-4-carbonitrile is CCC1=NO[C@@H](CN2CCC(C#N)(c3ccccc3)CC2)C1.
What is the InChIKey of 1-[[(5R)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-4-phenylpiperidine-4-carbonitrile?
The InChIKey is IEDPOIRVUVOMLU-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H23N3O/c1-2-16-12-17(22-20-16)13-21-10-8-18(14-19,9-11-21)15-6-4-3-5-7-15/h3-7,17H,2,8-13H2,1H3/t17-/m1/s1.
What are the key properties of 1-[[(5R)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-4-phenylpiperidine-4-carbonitrile?
1-[[(5R)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-4-phenylpiperidine-4-carbonitrile has a molecular weight of 297.40 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(5R)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-4-phenylpiperidine-4-carbonitrile is sourced from PubChem (CID 124751975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).