5-methyl-4-(1-quinolin-6-yltriazol-4-yl)-1,3-oxazole

C15H11N5O — CID 167793067

IUPAC5-methyl-4-(1-quinolin-6-yltriazol-4-yl)-1,3-oxazole
SMILESCc1ocnc1-c1cn(-c2ccc3ncccc3c2)nn1
InChIInChI=1S/C15H11N5O/c1-10-15(17-9-21-10)14-8-20(19-18-14)12-4-5-13-11(7-12)3-2-6-16-13/h2-9H,1H3
InChIKeyZVYYBYWWAGRHDD-UHFFFAOYSA-N
MW277.29 g/mol
LogP2.78
Rot. Bonds2

About 5-methyl-4-(1-quinolin-6-yltriazol-4-yl)-1,3-oxazole

5-methyl-4-(1-quinolin-6-yltriazol-4-yl)-1,3-oxazole (PubChem CID 167793067) has the molecular formula C15H11N5O and a molecular weight of 277.29 g/mol. Its IUPAC name is 5-methyl-4-(1-quinolin-6-yltriazol-4-yl)-1,3-oxazole.

Molecular Properties

Compound Name5-methyl-4-(1-quinolin-6-yltriazol-4-yl)-1,3-oxazole
PubChem CID167793067
Molecular FormulaC15H11N5O
Molecular Weight277.29 g/mol
Exact Mass277.10
IUPAC Name5-methyl-4-(1-quinolin-6-yltriazol-4-yl)-1,3-oxazole
SMILESCc1ocnc1-c1cn(-c2ccc3ncccc3c2)nn1
InChIInChI=1S/C15H11N5O/c1-10-15(17-9-21-10)14-8-20(19-18-14)12-4-5-13-11(7-12)3-2-6-16-13/h2-9H,1H3
InChIKeyZVYYBYWWAGRHDD-UHFFFAOYSA-N
XLogP2.78
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-[4-(bromomethyl)triazol-1-yl]quinoline
CID 62634784
1-(1-quinolin-6-yltriazol-4-yl)ethanol
CID 81444375
2-methyl-N-[(1-quinolin-6-yltriazol-4-yl)methyl]propan-2-amine
CID 66206720
1-(5-methyl-1-quinolin-6-yltriazol-4-yl)ethanamine
CID 55097451
6-methylquinoline
CID 7059
N-methyl-1-quinolin-6-ylimidazol-2-amine
CID 106570148
trans-(1R,2S)-2-(3,4-difluorophenyl)-N-[(1-quinolin-6-yltriazol-4-yl)methyl]cyclopropan-1-amine
CID 177380467
(5-methyl-1,3-oxazol-4-yl)-[6-(quinolin-6-ylmethyl)-1,4-oxazepan-4-yl]methanone
CID 110132081
CID 87967042
CID 87967042
4-[4-(4-phenyltriazol-1-yl)phenyl]-2,6-dipyridin-2-ylpyridine
CID 162662895
3-[1-(3-chlorophenyl)triazol-4-yl]-5-pyridin-2-yl-1,2,4-oxadiazole
CID 53169988
methyl 1-quinolin-6-ylindole-3-carboxylate
CID 68969653

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(1-quinolin-6-yltriazol-4-yl)-1,3-oxazole?
The IUPAC name of 5-methyl-4-(1-quinolin-6-yltriazol-4-yl)-1,3-oxazole (CID 167793067) is 5-methyl-4-(1-quinolin-6-yltriazol-4-yl)-1,3-oxazole.
What is the SMILES notation for 5-methyl-4-(1-quinolin-6-yltriazol-4-yl)-1,3-oxazole?
The canonical SMILES for 5-methyl-4-(1-quinolin-6-yltriazol-4-yl)-1,3-oxazole is Cc1ocnc1-c1cn(-c2ccc3ncccc3c2)nn1.
What is the InChIKey of 5-methyl-4-(1-quinolin-6-yltriazol-4-yl)-1,3-oxazole?
The InChIKey is ZVYYBYWWAGRHDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N5O/c1-10-15(17-9-21-10)14-8-20(19-18-14)12-4-5-13-11(7-12)3-2-6-16-13/h2-9H,1H3.
What are the key properties of 5-methyl-4-(1-quinolin-6-yltriazol-4-yl)-1,3-oxazole?
5-methyl-4-(1-quinolin-6-yltriazol-4-yl)-1,3-oxazole has a molecular weight of 277.29 g/mol, XLogP of 2.78, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(1-quinolin-6-yltriazol-4-yl)-1,3-oxazole is sourced from PubChem (CID 167793067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).