5-(5-methoxy-6-propan-2-yl-3-pyridinyl)-3-(oxan-4-yl)-1,2,4-oxadiazole

C16H21N3O3 — CID 146568042

IUPAC5-(5-methoxy-6-propan-2-yl-3-pyridinyl)-3-(oxan-4-yl)-1,2,4-oxadiazole
SMILESCOc1cc(-c2nc(C3CCOCC3)no2)cnc1C(C)C
InChIInChI=1S/C16H21N3O3/c1-10(2)14-13(20-3)8-12(9-17-14)16-18-15(19-22-16)11-4-6-21-7-5-11/h8-11H,4-7H2,1-3H3
InChIKeyDDOKVHQIJOAKFC-UHFFFAOYSA-N
MW303.36 g/mol
LogP3.16
Rot. Bonds4

About 5-(5-methoxy-6-propan-2-yl-3-pyridinyl)-3-(oxan-4-yl)-1,2,4-oxadiazole

5-(5-methoxy-6-propan-2-yl-3-pyridinyl)-3-(oxan-4-yl)-1,2,4-oxadiazole (PubChem CID 146568042) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is 5-(5-methoxy-6-propan-2-yl-3-pyridinyl)-3-(oxan-4-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(5-methoxy-6-propan-2-yl-3-pyridinyl)-3-(oxan-4-yl)-1,2,4-oxadiazole
PubChem CID146568042
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name5-(5-methoxy-6-propan-2-yl-3-pyridinyl)-3-(oxan-4-yl)-1,2,4-oxadiazole
SMILESCOc1cc(-c2nc(C3CCOCC3)no2)cnc1C(C)C
InChIInChI=1S/C16H21N3O3/c1-10(2)14-13(20-3)8-12(9-17-14)16-18-15(19-22-16)11-4-6-21-7-5-11/h8-11H,4-7H2,1-3H3
InChIKeyDDOKVHQIJOAKFC-UHFFFAOYSA-N
XLogP3.16
TPSA70.27 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(3R)-oxolan-3-yl]-5-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole
CID 97444955
5-(4-fluoro-3-methoxyphenyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
CID 72911954
2-methoxy-5-[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]phenol
CID 97160932
4-[2-methoxy-5-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]phenyl]morpholine
CID 97435460
5-(4-methoxy-3,5-dimethylphenyl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97436599
5-(2,4-dimethoxyphenyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
CID 72863065
5-[1-(2-methoxyphenyl)pyrazol-4-yl]-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97446142
5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methoxyphenol
CID 79732351
5-(2,6-difluoro-4-methoxyphenyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
CID 72918816
5-(2,3-dimethoxyphenyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
CID 72911925
2-methoxy-6-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]phenol
CID 136678825
5-(6-methoxy-2,3-dihydro-1H-inden-5-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97438019

Frequently Asked Questions

What is the IUPAC name of 5-(5-methoxy-6-propan-2-yl-3-pyridinyl)-3-(oxan-4-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-(5-methoxy-6-propan-2-yl-3-pyridinyl)-3-(oxan-4-yl)-1,2,4-oxadiazole (CID 146568042) is 5-(5-methoxy-6-propan-2-yl-3-pyridinyl)-3-(oxan-4-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(5-methoxy-6-propan-2-yl-3-pyridinyl)-3-(oxan-4-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(5-methoxy-6-propan-2-yl-3-pyridinyl)-3-(oxan-4-yl)-1,2,4-oxadiazole is COc1cc(-c2nc(C3CCOCC3)no2)cnc1C(C)C.
What is the InChIKey of 5-(5-methoxy-6-propan-2-yl-3-pyridinyl)-3-(oxan-4-yl)-1,2,4-oxadiazole?
The InChIKey is DDOKVHQIJOAKFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-10(2)14-13(20-3)8-12(9-17-14)16-18-15(19-22-16)11-4-6-21-7-5-11/h8-11H,4-7H2,1-3H3.
What are the key properties of 5-(5-methoxy-6-propan-2-yl-3-pyridinyl)-3-(oxan-4-yl)-1,2,4-oxadiazole?
5-(5-methoxy-6-propan-2-yl-3-pyridinyl)-3-(oxan-4-yl)-1,2,4-oxadiazole has a molecular weight of 303.36 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methoxy-6-propan-2-yl-3-pyridinyl)-3-(oxan-4-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 146568042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).