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

C21H23N3O2 — CID 136519981

IUPAC(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
SMILESO=C(C1CC(c2ccccc2)=NO1)N1CCC(Cc2cccnc2)CC1
InChIInChI=1S/C21H23N3O2/c25-21(20-14-19(23-26-20)18-6-2-1-3-7-18)24-11-8-16(9-12-24)13-17-5-4-10-22-15-17/h1-7,10,15-16,20H,8-9,11-14H2
InChIKeyUFGONLRODUDZMG-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.06
Rot. Bonds4

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

(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone (PubChem CID 136519981) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is (3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
PubChem CID136519981
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
SMILESO=C(C1CC(c2ccccc2)=NO1)N1CCC(Cc2cccnc2)CC1
InChIInChI=1S/C21H23N3O2/c25-21(20-14-19(23-26-20)18-6-2-1-3-7-18)24-11-8-16(9-12-24)13-17-5-4-10-22-15-17/h1-7,10,15-16,20H,8-9,11-14H2
InChIKeyUFGONLRODUDZMG-UHFFFAOYSA-N
XLogP3.06
TPSA54.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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Related Compounds

[(2S)-oxolan-2-yl]-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
CID 136580768
1-[(5R)-3-phenyl-4,5-dihydro-1,2-oxazole-5-carbonyl]piperidine-4-carboxamide
CID 129367099
(5R)-3-phenyl-N-(pyridin-3-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 129360275
[(5S)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 94808896
(4-benzylpiperidin-1-yl)-pyridin-3-ylmethanone
CID 669081
N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 42816802
(3-hydroxy-3-methylcyclobutyl)-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
CID 170372559
[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]-(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)methanone
CID 167971504
(4R)-1-methyl-4-[4-(pyridin-3-ylmethyl)piperidine-1-carbonyl]-3,4-dihydroquinolin-2-one
CID 126438660
1-(4-benzylpiperidin-1-yl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
CID 7559273
4-(3-phenyl-4,5-dihydro-1,2-oxazole-5-carbonyl)piperazine-2,6-dione
CID 66085871
2-hydroxy-1-[3-(pyridin-3-ylmethyl)pyrrolidin-1-yl]ethanone
CID 110269394

Frequently Asked Questions

What is the IUPAC name of (3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone?
The IUPAC name of (3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone (CID 136519981) is (3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone?
The canonical SMILES for (3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone is O=C(C1CC(c2ccccc2)=NO1)N1CCC(Cc2cccnc2)CC1.
What is the InChIKey of (3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone?
The InChIKey is UFGONLRODUDZMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c25-21(20-14-19(23-26-20)18-6-2-1-3-7-18)24-11-8-16(9-12-24)13-17-5-4-10-22-15-17/h1-7,10,15-16,20H,8-9,11-14H2.
What are the key properties of (3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone?
(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone has a molecular weight of 349.43 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 136519981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).