5-methyl-3-[2-[(1S,2R,4S)-2-phenyl-2-bicyclo[2.2.1]heptanyl]-4-(quinolin-2-ylmethoxy)phenyl]-1,2,4-oxadiazole

C32H29N3O2 — CID 70688025

IUPAC5-methyl-3-[2-[(1S,2R,4S)-2-phenyl-2-bicyclo[2.2.1]heptanyl]-4-(quinolin-2-ylmethoxy)phenyl]-1,2,4-oxadiazole
SMILESCc1nc(-c2ccc(OCc3ccc4ccccc4n3)cc2[C@]2(c3ccccc3)C[C@H]3CC[C@H]2C3)no1
InChIInChI=1S/C32H29N3O2/c1-21-33-31(35-37-21)28-16-15-27(36-20-26-14-12-23-7-5-6-10-30(23)34-26)18-29(28)32(24-8-3-2-4-9-24)19-22-11-13-25(32)17-22/h2-10,12,14-16,18,22,25H,11,13,17,19-20H2,1H3/t22-,25-,32-/m0/s1
InChIKeyZBWWCNSJSMVWRX-PBONVNOTSA-N
MW487.60 g/mol
LogP7.28
Rot. Bonds6

About 5-methyl-3-[2-[(1S,2R,4S)-2-phenyl-2-bicyclo[2.2.1]heptanyl]-4-(quinolin-2-ylmethoxy)phenyl]-1,2,4-oxadiazole

5-methyl-3-[2-[(1S,2R,4S)-2-phenyl-2-bicyclo[2.2.1]heptanyl]-4-(quinolin-2-ylmethoxy)phenyl]-1,2,4-oxadiazole (PubChem CID 70688025) has the molecular formula C32H29N3O2 and a molecular weight of 487.60 g/mol. Its IUPAC name is 5-methyl-3-[2-[(1S,2R,4S)-2-phenyl-2-bicyclo[2.2.1]heptanyl]-4-(quinolin-2-ylmethoxy)phenyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-methyl-3-[2-[(1S,2R,4S)-2-phenyl-2-bicyclo[2.2.1]heptanyl]-4-(quinolin-2-ylmethoxy)phenyl]-1,2,4-oxadiazole
PubChem CID70688025
Molecular FormulaC32H29N3O2
Molecular Weight487.60 g/mol
Exact Mass487.23
IUPAC Name5-methyl-3-[2-[(1S,2R,4S)-2-phenyl-2-bicyclo[2.2.1]heptanyl]-4-(quinolin-2-ylmethoxy)phenyl]-1,2,4-oxadiazole
SMILESCc1nc(-c2ccc(OCc3ccc4ccccc4n3)cc2[C@]2(c3ccccc3)C[C@H]3CC[C@H]2C3)no1
InChIInChI=1S/C32H29N3O2/c1-21-33-31(35-37-21)28-16-15-27(36-20-26-14-12-23-7-5-6-10-30(23)34-26)18-29(28)32(24-8-3-2-4-9-24)19-22-11-13-25(32)17-22/h2-10,12,14-16,18,22,25H,11,13,17,19-20H2,1H3/t22-,25-,32-/m0/s1
InChIKeyZBWWCNSJSMVWRX-PBONVNOTSA-N
XLogP7.28
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.60
LogP ≤ 57.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-methyl-3-[2-[(1S,2R,4S)-2-phenyl-2-bicyclo[2.2.1]heptanyl]-4-(quinolin-2-ylmethoxy)phenyl]-1,2,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[2-[(1S,2R,4S)-2-phenyl-2-bicyclo[2.2.1]heptanyl]-4-(quinolin-2-ylmethoxy)phenyl]-1,2,4-oxadiazole?
The IUPAC name of 5-methyl-3-[2-[(1S,2R,4S)-2-phenyl-2-bicyclo[2.2.1]heptanyl]-4-(quinolin-2-ylmethoxy)phenyl]-1,2,4-oxadiazole (CID 70688025) is 5-methyl-3-[2-[(1S,2R,4S)-2-phenyl-2-bicyclo[2.2.1]heptanyl]-4-(quinolin-2-ylmethoxy)phenyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-methyl-3-[2-[(1S,2R,4S)-2-phenyl-2-bicyclo[2.2.1]heptanyl]-4-(quinolin-2-ylmethoxy)phenyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-methyl-3-[2-[(1S,2R,4S)-2-phenyl-2-bicyclo[2.2.1]heptanyl]-4-(quinolin-2-ylmethoxy)phenyl]-1,2,4-oxadiazole is Cc1nc(-c2ccc(OCc3ccc4ccccc4n3)cc2[C@]2(c3ccccc3)C[C@H]3CC[C@H]2C3)no1.
What is the InChIKey of 5-methyl-3-[2-[(1S,2R,4S)-2-phenyl-2-bicyclo[2.2.1]heptanyl]-4-(quinolin-2-ylmethoxy)phenyl]-1,2,4-oxadiazole?
The InChIKey is ZBWWCNSJSMVWRX-PBONVNOTSA-N. The full InChI is InChI=1S/C32H29N3O2/c1-21-33-31(35-37-21)28-16-15-27(36-20-26-14-12-23-7-5-6-10-30(23)34-26)18-29(28)32(24-8-3-2-4-9-24)19-22-11-13-25(32)17-22/h2-10,12,14-16,18,22,25H,11,13,17,19-20H2,1H3/t22-,25-,32-/m0/s1.
What are the key properties of 5-methyl-3-[2-[(1S,2R,4S)-2-phenyl-2-bicyclo[2.2.1]heptanyl]-4-(quinolin-2-ylmethoxy)phenyl]-1,2,4-oxadiazole?
5-methyl-3-[2-[(1S,2R,4S)-2-phenyl-2-bicyclo[2.2.1]heptanyl]-4-(quinolin-2-ylmethoxy)phenyl]-1,2,4-oxadiazole has a molecular weight of 487.60 g/mol, XLogP of 7.28, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[2-[(1S,2R,4S)-2-phenyl-2-bicyclo[2.2.1]heptanyl]-4-(quinolin-2-ylmethoxy)phenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 70688025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).