2-(4-methylphenyl)-5-quinolin-5-yl-1,3,4-oxadiazole

C18H13N3O — CID 177007625

IUPAC2-(4-methylphenyl)-5-quinolin-5-yl-1,3,4-oxadiazole
SMILESCc1ccc(-c2nnc(-c3cccc4ncccc34)o2)cc1
InChIInChI=1S/C18H13N3O/c1-12-7-9-13(10-8-12)17-20-21-18(22-17)15-4-2-6-16-14(15)5-3-11-19-16/h2-11H,1H3
InChIKeyMTWZXBZSZAUGPT-UHFFFAOYSA-N
MW287.32 g/mol
LogP4.26
Rot. Bonds2

About 2-(4-methylphenyl)-5-quinolin-5-yl-1,3,4-oxadiazole

2-(4-methylphenyl)-5-quinolin-5-yl-1,3,4-oxadiazole (PubChem CID 177007625) has the molecular formula C18H13N3O and a molecular weight of 287.32 g/mol. Its IUPAC name is 2-(4-methylphenyl)-5-quinolin-5-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-methylphenyl)-5-quinolin-5-yl-1,3,4-oxadiazole
PubChem CID177007625
Molecular FormulaC18H13N3O
Molecular Weight287.32 g/mol
Exact Mass287.11
IUPAC Name2-(4-methylphenyl)-5-quinolin-5-yl-1,3,4-oxadiazole
SMILESCc1ccc(-c2nnc(-c3cccc4ncccc34)o2)cc1
InChIInChI=1S/C18H13N3O/c1-12-7-9-13(10-8-12)17-20-21-18(22-17)15-4-2-6-16-14(15)5-3-11-19-16/h2-11H,1H3
InChIKeyMTWZXBZSZAUGPT-UHFFFAOYSA-N
XLogP4.26
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-di(quinolin-4-yl)-1,3,4-oxadiazole
CID 143438590
2-(chloromethyl)-5-quinolin-5-yl-1,3,4-oxadiazole
CID 62849537
5-(3-methyl-5-quinolin-5-ylphenyl)quinoline
CID 144553990
5-[4-(3-methylphenyl)phenyl]quinoline
CID 121316110
N-[(5-quinolin-5-yl-1,3,4-oxadiazol-2-yl)methyl]propan-1-amine
CID 62875418
2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenol;zinc
CID 158215980
2,5-bis[4-(6-methyldibenzofuran-4-yl)phenyl]-1,3,4-oxadiazole
CID 70332227
2-[(5-quinolin-5-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetic acid
CID 62876224
5-(furan-2-yl)quinoline
CID 135387674
2-(1-methylindol-3-yl)-5-(4-methylphenyl)-1,3,4-oxadiazole
CID 860744
1-(4-quinolin-5-ylphenyl)ethanamine
CID 81224129
2-(2-ethoxy-3-pyridinyl)-5-(3-methylphenyl)-1,3,4-oxadiazole
CID 99962666

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-5-quinolin-5-yl-1,3,4-oxadiazole?
The IUPAC name of 2-(4-methylphenyl)-5-quinolin-5-yl-1,3,4-oxadiazole (CID 177007625) is 2-(4-methylphenyl)-5-quinolin-5-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-methylphenyl)-5-quinolin-5-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-methylphenyl)-5-quinolin-5-yl-1,3,4-oxadiazole is Cc1ccc(-c2nnc(-c3cccc4ncccc34)o2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-5-quinolin-5-yl-1,3,4-oxadiazole?
The InChIKey is MTWZXBZSZAUGPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O/c1-12-7-9-13(10-8-12)17-20-21-18(22-17)15-4-2-6-16-14(15)5-3-11-19-16/h2-11H,1H3.
What are the key properties of 2-(4-methylphenyl)-5-quinolin-5-yl-1,3,4-oxadiazole?
2-(4-methylphenyl)-5-quinolin-5-yl-1,3,4-oxadiazole has a molecular weight of 287.32 g/mol, XLogP of 4.26, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-5-quinolin-5-yl-1,3,4-oxadiazole is sourced from PubChem (CID 177007625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).