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

C20H27N3O2 — CID 94808896

IUPAC[(5S)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
SMILESO=C([C@@H]1CC(c2ccccc2)=NO1)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C20H27N3O2/c24-20(19-15-18(21-25-19)16-7-3-1-4-8-16)23-13-9-17(10-14-23)22-11-5-2-6-12-22/h1,3-4,7-8,17,19H,2,5-6,9-15H2/t19-/m0/s1
InChIKeyWDTNDXWZABCIPS-IBGZPJMESA-N
MW341.45 g/mol
LogP2.66
Rot. Bonds3

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

[(5S)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone (PubChem CID 94808896) has the molecular formula C20H27N3O2 and a molecular weight of 341.45 g/mol. Its IUPAC name is [(5S)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[(5S)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
PubChem CID94808896
Molecular FormulaC20H27N3O2
Molecular Weight341.45 g/mol
Exact Mass341.21
IUPAC Name[(5S)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
SMILESO=C([C@@H]1CC(c2ccccc2)=NO1)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C20H27N3O2/c24-20(19-15-18(21-25-19)16-7-3-1-4-8-16)23-13-9-17(10-14-23)22-11-5-2-6-12-22/h1,3-4,7-8,17,19H,2,5-6,9-15H2/t19-/m0/s1
InChIKeyWDTNDXWZABCIPS-IBGZPJMESA-N
XLogP2.66
TPSA45.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(5S)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone with MolForge

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Related Compounds

1-[(5R)-3-phenyl-4,5-dihydro-1,2-oxazole-5-carbonyl]piperidine-4-carboxamide
CID 129367099
(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
CID 136519981
3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxylic acid;hydrobromide
CID 162314316
4-(3-phenyl-4,5-dihydro-1,2-oxazole-5-carbonyl)piperazine-2,6-dione
CID 66085871
[(5R)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-(4-methylpiperidin-1-yl)methanone
CID 40503563
[(5S)-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-piperidin-1-ylmethanone
CID 92734591
1-[3-(2-chlorophenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]piperidine-4-carboxamide
CID 3158090
(4-benzhydrylpiperazin-1-yl)-[(5R)-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone
CID 28855257
N-cyclopentyl-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 46489182
[(4R,5R)-2,2-dimethyl-4,5-diphenyl-3-[(5R)-3-phenyl-4,5-dihydro-1,2-oxazole-5-carbonyl]imidazolidin-1-yl]-[(5S)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]methanone
CID 99727422
3,4-dihydro-2H-chromen-3-yl-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 22578087
[(5R)-3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-(4-methylpiperazin-4-ium-1-yl)methanone
CID 7260075

Frequently Asked Questions

What is the IUPAC name of [(5S)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone?
The IUPAC name of [(5S)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone (CID 94808896) is [(5S)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone.
What is the SMILES notation for [(5S)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone?
The canonical SMILES for [(5S)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone is O=C([C@@H]1CC(c2ccccc2)=NO1)N1CCC(N2CCCCC2)CC1.
What is the InChIKey of [(5S)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone?
The InChIKey is WDTNDXWZABCIPS-IBGZPJMESA-N. The full InChI is InChI=1S/C20H27N3O2/c24-20(19-15-18(21-25-19)16-7-3-1-4-8-16)23-13-9-17(10-14-23)22-11-5-2-6-12-22/h1,3-4,7-8,17,19H,2,5-6,9-15H2/t19-/m0/s1.
What are the key properties of [(5S)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone?
[(5S)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone has a molecular weight of 341.45 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(5S)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 94808896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).