3,5-dimethyl-4-[5-(2-methylpropyl)-2-quinolin-8-yl-1,2,4-triazol-3-yl]-1,2-oxazole

C20H21N5O — CID 50962318

IUPAC3,5-dimethyl-4-[5-(2-methylpropyl)-2-quinolin-8-yl-1,2,4-triazol-3-yl]-1,2-oxazole
SMILESCc1noc(C)c1-c1nc(CC(C)C)nn1-c1cccc2cccnc12
InChIInChI=1S/C20H21N5O/c1-12(2)11-17-22-20(18-13(3)24-26-14(18)4)25(23-17)16-9-5-7-15-8-6-10-21-19(15)16/h5-10,12H,11H2,1-4H3
InChIKeyISKOFGDTIJYNMQ-UHFFFAOYSA-N
MW347.42 g/mol
LogP4.29
Rot. Bonds4

About 3,5-dimethyl-4-[5-(2-methylpropyl)-2-quinolin-8-yl-1,2,4-triazol-3-yl]-1,2-oxazole

3,5-dimethyl-4-[5-(2-methylpropyl)-2-quinolin-8-yl-1,2,4-triazol-3-yl]-1,2-oxazole (PubChem CID 50962318) has the molecular formula C20H21N5O and a molecular weight of 347.42 g/mol. Its IUPAC name is 3,5-dimethyl-4-[5-(2-methylpropyl)-2-quinolin-8-yl-1,2,4-triazol-3-yl]-1,2-oxazole.

Molecular Properties

Compound Name3,5-dimethyl-4-[5-(2-methylpropyl)-2-quinolin-8-yl-1,2,4-triazol-3-yl]-1,2-oxazole
PubChem CID50962318
Molecular FormulaC20H21N5O
Molecular Weight347.42 g/mol
Exact Mass347.17
IUPAC Name3,5-dimethyl-4-[5-(2-methylpropyl)-2-quinolin-8-yl-1,2,4-triazol-3-yl]-1,2-oxazole
SMILESCc1noc(C)c1-c1nc(CC(C)C)nn1-c1cccc2cccnc12
InChIInChI=1S/C20H21N5O/c1-12(2)11-17-22-20(18-13(3)24-26-14(18)4)25(23-17)16-9-5-7-15-8-6-10-21-19(15)16/h5-10,12H,11H2,1-4H3
InChIKeyISKOFGDTIJYNMQ-UHFFFAOYSA-N
XLogP4.29
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3,5-dimethyl-4-[5-(2-methylpropyl)-2-quinolin-8-yl-1,2,4-triazol-3-yl]-1,2-oxazole with MolForge

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Related Compounds

8-[5-[2-(2-methylimidazol-1-yl)ethyl]-3-(2-methylpropyl)-1,2,4-triazol-1-yl]quinoline
CID 50953775
8-(3-methyl-1,2,4-triazol-1-yl)quinoline
CID 166607439
8-[5-(5-methylpyrazin-2-yl)-3-propan-2-yl-1,2,4-triazol-1-yl]quinoline
CID 50955837
1-(2-methoxyphenyl)-3-(2-methylpropyl)-5-(1H-1,2,4-triazol-5-yl)-1,2,4-triazole
CID 50961121
5-propan-2-yl-1-quinolin-8-yltriazol-4-amine
CID 79502966
5-methyl-1-quinolin-8-yltriazol-4-amine
CID 79502676
3,5-dimethyl-4-[1-(1-methylbenzotriazol-4-yl)imidazol-2-yl]-1,2-oxazole
CID 138807759
5-methyl-3-quinolin-8-yl-1H-imidazole-2-thione
CID 81335602
N,N-dimethyl-3-(5-methyl-2-quinolin-8-yl-1,2,4-triazol-3-yl)propan-1-amine
CID 46991106
3-[(5-methyl-2-quinolin-8-yl-1,2,4-triazol-3-yl)methyl]-2,3-dihydroisoindol-1-one
CID 46989276
2-(3,5-dimethyl-1,2-oxazol-4-yl)pyridine-3-carboxylic acid
CID 53222591
8-methyl-6-(2-methylpropyl)quinoline
CID 146222256

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-[5-(2-methylpropyl)-2-quinolin-8-yl-1,2,4-triazol-3-yl]-1,2-oxazole?
The IUPAC name of 3,5-dimethyl-4-[5-(2-methylpropyl)-2-quinolin-8-yl-1,2,4-triazol-3-yl]-1,2-oxazole (CID 50962318) is 3,5-dimethyl-4-[5-(2-methylpropyl)-2-quinolin-8-yl-1,2,4-triazol-3-yl]-1,2-oxazole.
What is the SMILES notation for 3,5-dimethyl-4-[5-(2-methylpropyl)-2-quinolin-8-yl-1,2,4-triazol-3-yl]-1,2-oxazole?
The canonical SMILES for 3,5-dimethyl-4-[5-(2-methylpropyl)-2-quinolin-8-yl-1,2,4-triazol-3-yl]-1,2-oxazole is Cc1noc(C)c1-c1nc(CC(C)C)nn1-c1cccc2cccnc12.
What is the InChIKey of 3,5-dimethyl-4-[5-(2-methylpropyl)-2-quinolin-8-yl-1,2,4-triazol-3-yl]-1,2-oxazole?
The InChIKey is ISKOFGDTIJYNMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O/c1-12(2)11-17-22-20(18-13(3)24-26-14(18)4)25(23-17)16-9-5-7-15-8-6-10-21-19(15)16/h5-10,12H,11H2,1-4H3.
What are the key properties of 3,5-dimethyl-4-[5-(2-methylpropyl)-2-quinolin-8-yl-1,2,4-triazol-3-yl]-1,2-oxazole?
3,5-dimethyl-4-[5-(2-methylpropyl)-2-quinolin-8-yl-1,2,4-triazol-3-yl]-1,2-oxazole has a molecular weight of 347.42 g/mol, XLogP of 4.29, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-[5-(2-methylpropyl)-2-quinolin-8-yl-1,2,4-triazol-3-yl]-1,2-oxazole is sourced from PubChem (CID 50962318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).