5-[4-[1-(1-cyclobutylpiperidin-4-ylidene)ethyl]phenyl]-3-methyl-1,2,4-oxadiazole

C20H25N3O — CID 71271824

IUPAC5-[4-[1-(1-cyclobutylpiperidin-4-ylidene)ethyl]phenyl]-3-methyl-1,2,4-oxadiazole
SMILESCC(=C1CCN(C2CCC2)CC1)c1ccc(-c2nc(C)no2)cc1
InChIInChI=1S/C20H25N3O/c1-14(17-10-12-23(13-11-17)19-4-3-5-19)16-6-8-18(9-7-16)20-21-15(2)22-24-20/h6-9,19H,3-5,10-13H2,1-2H3
InChIKeyLBBPTVMWTFNRSP-UHFFFAOYSA-N
MW323.44 g/mol
LogP4.47
Rot. Bonds3

About 5-[4-[1-(1-cyclobutylpiperidin-4-ylidene)ethyl]phenyl]-3-methyl-1,2,4-oxadiazole

5-[4-[1-(1-cyclobutylpiperidin-4-ylidene)ethyl]phenyl]-3-methyl-1,2,4-oxadiazole (PubChem CID 71271824) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is 5-[4-[1-(1-cyclobutylpiperidin-4-ylidene)ethyl]phenyl]-3-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[4-[1-(1-cyclobutylpiperidin-4-ylidene)ethyl]phenyl]-3-methyl-1,2,4-oxadiazole
PubChem CID71271824
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Name5-[4-[1-(1-cyclobutylpiperidin-4-ylidene)ethyl]phenyl]-3-methyl-1,2,4-oxadiazole
SMILESCC(=C1CCN(C2CCC2)CC1)c1ccc(-c2nc(C)no2)cc1
InChIInChI=1S/C20H25N3O/c1-14(17-10-12-23(13-11-17)19-4-3-5-19)16-6-8-18(9-7-16)20-21-15(2)22-24-20/h6-9,19H,3-5,10-13H2,1-2H3
InChIKeyLBBPTVMWTFNRSP-UHFFFAOYSA-N
XLogP4.47
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-({4-[5-(4-Cyclohexylphenyl)-1,2,4-oxadiazol-3-yl]phenyl}methyl)azetidine-3-carboxylic acid
CID 9979368
1-({4-[5-(4-Butylphenyl)-1,2,4-oxadiazol-3-yl]phenyl}methyl)azetidine-3-carboxylic acid
CID 10045980
1-({4-[5-(4-Cyclopentylphenyl)-1,2,4-oxadiazol-3-yl]phenyl}methyl)azetidine-3-carboxylic acid
CID 10408874
Merck SIP Agonist
CID 10430549
1-[(4-{5-[4-(3,3,3-Trifluoropropyl)phenyl]-1,2,4-oxadiazol-3-yl}phenyl)methyl]azetidine-3-carboxylic acid
CID 11743459
3,5-Diphenyl-1,2,4-oxadiazole
CID 136695
3-Methyl-5-phenyl-1,2,4-oxadiazole
CID 136937
trans-3-{[(1R)-1-{4-[5-(4-Isobutylphenyl)-1,2,4-oxadiazol-3-yl]Phenyl}ethyl]amino}cyclobutanecarboxylic acid
CID 42610387
1-({4-[5-(4-Tert-butylphenyl)-1,2,4-oxadiazol-3-yl]phenyl}methyl)azetidine-3-carboxylic acid
CID 10249887
1-({4-[5-(4-Phenylphenyl)-1,2,4-oxadiazol-3-yl]phenyl}methyl)azetidine-3-carboxylic acid
CID 10251062
1-({4-[5-(4-Propylphenyl)-1,2,4-oxadiazol-3-yl]phenyl}methyl)azetidine-3-carboxylic acid
CID 10317453
1-[(4-{5-[4-(2-Methylbutan-2-yl)phenyl]-1,2,4-oxadiazol-3-yl}phenyl)methyl]azetidine-3-carboxylic acid
CID 10363915

Frequently Asked Questions

What is the IUPAC name of 5-[4-[1-(1-cyclobutylpiperidin-4-ylidene)ethyl]phenyl]-3-methyl-1,2,4-oxadiazole?
The IUPAC name of 5-[4-[1-(1-cyclobutylpiperidin-4-ylidene)ethyl]phenyl]-3-methyl-1,2,4-oxadiazole (CID 71271824) is 5-[4-[1-(1-cyclobutylpiperidin-4-ylidene)ethyl]phenyl]-3-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[4-[1-(1-cyclobutylpiperidin-4-ylidene)ethyl]phenyl]-3-methyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[4-[1-(1-cyclobutylpiperidin-4-ylidene)ethyl]phenyl]-3-methyl-1,2,4-oxadiazole is CC(=C1CCN(C2CCC2)CC1)c1ccc(-c2nc(C)no2)cc1.
What is the InChIKey of 5-[4-[1-(1-cyclobutylpiperidin-4-ylidene)ethyl]phenyl]-3-methyl-1,2,4-oxadiazole?
The InChIKey is LBBPTVMWTFNRSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O/c1-14(17-10-12-23(13-11-17)19-4-3-5-19)16-6-8-18(9-7-16)20-21-15(2)22-24-20/h6-9,19H,3-5,10-13H2,1-2H3.
What are the key properties of 5-[4-[1-(1-cyclobutylpiperidin-4-ylidene)ethyl]phenyl]-3-methyl-1,2,4-oxadiazole?
5-[4-[1-(1-cyclobutylpiperidin-4-ylidene)ethyl]phenyl]-3-methyl-1,2,4-oxadiazole has a molecular weight of 323.44 g/mol, XLogP of 4.47, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[1-(1-cyclobutylpiperidin-4-ylidene)ethyl]phenyl]-3-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 71271824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).