(5-phenyl-1,2-oxazol-3-yl)-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone

C20H22N4O3 — CID 70706302

IUPAC(5-phenyl-1,2-oxazol-3-yl)-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
SMILESCC(C)c1noc(C2CCN(C(=O)c3cc(-c4ccccc4)on3)CC2)n1
InChIInChI=1S/C20H22N4O3/c1-13(2)18-21-19(27-23-18)15-8-10-24(11-9-15)20(25)16-12-17(26-22-16)14-6-4-3-5-7-14/h3-7,12-13,15H,8-11H2,1-2H3
InChIKeyWTUISFXMYUZZEI-UHFFFAOYSA-N
MW366.42 g/mol
LogP3.87
Rot. Bonds4

About (5-phenyl-1,2-oxazol-3-yl)-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone

(5-phenyl-1,2-oxazol-3-yl)-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone (PubChem CID 70706302) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is (5-phenyl-1,2-oxazol-3-yl)-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-phenyl-1,2-oxazol-3-yl)-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
PubChem CID70706302
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC Name(5-phenyl-1,2-oxazol-3-yl)-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
SMILESCC(C)c1noc(C2CCN(C(=O)c3cc(-c4ccccc4)on3)CC2)n1
InChIInChI=1S/C20H22N4O3/c1-13(2)18-21-19(27-23-18)15-8-10-24(11-9-15)20(25)16-12-17(26-22-16)14-6-4-3-5-7-14/h3-7,12-13,15H,8-11H2,1-2H3
InChIKeyWTUISFXMYUZZEI-UHFFFAOYSA-N
XLogP3.87
TPSA85.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 91946461
[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 110313558
[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-[6-(1,2,4-triazol-4-yl)-2-pyridinyl]methanone
CID 131940108
3-phenyl-1-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]prop-2-en-1-one
CID 75765861
1-(5-phenyl-1,2-oxazole-3-carbonyl)piperidine-4-carboxamide
CID 1093757
(6-chloroimidazo[1,2-a]pyridin-2-yl)-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 131893064
[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone
CID 70737317
[1-(5-phenyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 51264852
(2-amino-1,3-benzothiazol-5-yl)-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 155501762
(3,5-dimethyl-1,2-oxazol-4-yl)-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 91786172
2-[3-[1-(5-phenyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]-1H-pyrazol-5-yl]acetic acid
CID 56710651
[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-pyridin-2-ylmethanone
CID 56686165

Frequently Asked Questions

What is the IUPAC name of (5-phenyl-1,2-oxazol-3-yl)-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone?
The IUPAC name of (5-phenyl-1,2-oxazol-3-yl)-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone (CID 70706302) is (5-phenyl-1,2-oxazol-3-yl)-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (5-phenyl-1,2-oxazol-3-yl)-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone?
The canonical SMILES for (5-phenyl-1,2-oxazol-3-yl)-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone is CC(C)c1noc(C2CCN(C(=O)c3cc(-c4ccccc4)on3)CC2)n1.
What is the InChIKey of (5-phenyl-1,2-oxazol-3-yl)-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone?
The InChIKey is WTUISFXMYUZZEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-13(2)18-21-19(27-23-18)15-8-10-24(11-9-15)20(25)16-12-17(26-22-16)14-6-4-3-5-7-14/h3-7,12-13,15H,8-11H2,1-2H3.
What are the key properties of (5-phenyl-1,2-oxazol-3-yl)-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone?
(5-phenyl-1,2-oxazol-3-yl)-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone has a molecular weight of 366.42 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-phenyl-1,2-oxazol-3-yl)-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 70706302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).