(4-imidazol-1-ylpiperidin-1-yl)-[(5S)-5-phenyl-4,5-dihydro-1,2-oxazol-3-yl]methanone

C18H20N4O2 — CID 94823527

IUPAC(4-imidazol-1-ylpiperidin-1-yl)-[(5S)-5-phenyl-4,5-dihydro-1,2-oxazol-3-yl]methanone
SMILESO=C(C1=NO[C@H](c2ccccc2)C1)N1CCC(n2ccnc2)CC1
InChIInChI=1S/C18H20N4O2/c23-18(16-12-17(24-20-16)14-4-2-1-3-5-14)21-9-6-15(7-10-21)22-11-8-19-13-22/h1-5,8,11,13,15,17H,6-7,9-10,12H2/t17-/m0/s1
InChIKeyIHIHRJJWSGWNBM-KRWDZBQOSA-N
MW324.38 g/mol
LogP2.56
Rot. Bonds3

About (4-imidazol-1-ylpiperidin-1-yl)-[(5S)-5-phenyl-4,5-dihydro-1,2-oxazol-3-yl]methanone

(4-imidazol-1-ylpiperidin-1-yl)-[(5S)-5-phenyl-4,5-dihydro-1,2-oxazol-3-yl]methanone (PubChem CID 94823527) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is (4-imidazol-1-ylpiperidin-1-yl)-[(5S)-5-phenyl-4,5-dihydro-1,2-oxazol-3-yl]methanone.

Molecular Properties

Compound Name(4-imidazol-1-ylpiperidin-1-yl)-[(5S)-5-phenyl-4,5-dihydro-1,2-oxazol-3-yl]methanone
PubChem CID94823527
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name(4-imidazol-1-ylpiperidin-1-yl)-[(5S)-5-phenyl-4,5-dihydro-1,2-oxazol-3-yl]methanone
SMILESO=C(C1=NO[C@H](c2ccccc2)C1)N1CCC(n2ccnc2)CC1
InChIInChI=1S/C18H20N4O2/c23-18(16-12-17(24-20-16)14-4-2-1-3-5-14)21-9-6-15(7-10-21)22-11-8-19-13-22/h1-5,8,11,13,15,17H,6-7,9-10,12H2/t17-/m0/s1
InChIKeyIHIHRJJWSGWNBM-KRWDZBQOSA-N
XLogP2.56
TPSA59.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-imidazol-1-ylpiperidin-1-yl)-[(5S)-5-phenyl-4,5-dihydro-1,2-oxazol-3-yl]methanone?
The IUPAC name of (4-imidazol-1-ylpiperidin-1-yl)-[(5S)-5-phenyl-4,5-dihydro-1,2-oxazol-3-yl]methanone (CID 94823527) is (4-imidazol-1-ylpiperidin-1-yl)-[(5S)-5-phenyl-4,5-dihydro-1,2-oxazol-3-yl]methanone.
What is the SMILES notation for (4-imidazol-1-ylpiperidin-1-yl)-[(5S)-5-phenyl-4,5-dihydro-1,2-oxazol-3-yl]methanone?
The canonical SMILES for (4-imidazol-1-ylpiperidin-1-yl)-[(5S)-5-phenyl-4,5-dihydro-1,2-oxazol-3-yl]methanone is O=C(C1=NO[C@H](c2ccccc2)C1)N1CCC(n2ccnc2)CC1.
What is the InChIKey of (4-imidazol-1-ylpiperidin-1-yl)-[(5S)-5-phenyl-4,5-dihydro-1,2-oxazol-3-yl]methanone?
The InChIKey is IHIHRJJWSGWNBM-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H20N4O2/c23-18(16-12-17(24-20-16)14-4-2-1-3-5-14)21-9-6-15(7-10-21)22-11-8-19-13-22/h1-5,8,11,13,15,17H,6-7,9-10,12H2/t17-/m0/s1.
What are the key properties of (4-imidazol-1-ylpiperidin-1-yl)-[(5S)-5-phenyl-4,5-dihydro-1,2-oxazol-3-yl]methanone?
(4-imidazol-1-ylpiperidin-1-yl)-[(5S)-5-phenyl-4,5-dihydro-1,2-oxazol-3-yl]methanone has a molecular weight of 324.38 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-imidazol-1-ylpiperidin-1-yl)-[(5S)-5-phenyl-4,5-dihydro-1,2-oxazol-3-yl]methanone is sourced from PubChem (CID 94823527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).