4-methyl-2-(3-piperidin-3-yltriazol-4-yl)-1,3-oxazole

C11H15N5O — CID 165488359

IUPAC4-methyl-2-(3-piperidin-3-yltriazol-4-yl)-1,3-oxazole
SMILESCc1coc(-c2cnnn2C2CCCNC2)n1
InChIInChI=1S/C11H15N5O/c1-8-7-17-11(14-8)10-6-13-15-16(10)9-3-2-4-12-5-9/h6-7,9,12H,2-5H2,1H3
InChIKeyAPBNICJHANJQDG-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.17
Rot. Bonds2

About 4-methyl-2-(3-piperidin-3-yltriazol-4-yl)-1,3-oxazole

4-methyl-2-(3-piperidin-3-yltriazol-4-yl)-1,3-oxazole (PubChem CID 165488359) has the molecular formula C11H15N5O and a molecular weight of 233.27 g/mol. Its IUPAC name is 4-methyl-2-(3-piperidin-3-yltriazol-4-yl)-1,3-oxazole.

Molecular Properties

Compound Name4-methyl-2-(3-piperidin-3-yltriazol-4-yl)-1,3-oxazole
PubChem CID165488359
Molecular FormulaC11H15N5O
Molecular Weight233.27 g/mol
Exact Mass233.13
IUPAC Name4-methyl-2-(3-piperidin-3-yltriazol-4-yl)-1,3-oxazole
SMILESCc1coc(-c2cnnn2C2CCCNC2)n1
InChIInChI=1S/C11H15N5O/c1-8-7-17-11(14-8)10-6-13-15-16(10)9-3-2-4-12-5-9/h6-7,9,12H,2-5H2,1H3
InChIKeyAPBNICJHANJQDG-UHFFFAOYSA-N
XLogP1.17
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[5-(4-bromophenyl)triazol-1-yl]piperidine
CID 165488289
5-(3-methylphenyl)-1-pyrrolidin-3-yltriazole
CID 115036803
3-(3,5-dimethylpyrazol-1-yl)piperidine
CID 54592912
4-[5-(1,2,3,6-tetrahydropyridin-4-yl)triazol-1-yl]azepane
CID 165488302
3-(5-ethylpyrazol-1-yl)piperidine
CID 84768027
4,6-dimethyl-2-[(3R)-piperidin-3-yl]pyridazin-3-one
CID 166162675
2,6-dimethyl-3-piperidin-3-ylpyrimidin-4-one
CID 126857734
2-(azepan-4-ylsulfanyl)-4-methyl-1,3-oxazole
CID 130490292
3-methyl-5-(1-piperidin-3-yl-1,2,4-triazol-3-yl)-1,2,4-oxadiazole;hydrochloride
CID 120833998
(3R)-3-(5-methyl-4-nitropyrazol-1-yl)piperidine;hydrochloride
CID 140765908
3-[4-(4-bromophenyl)-5-methylpyrazol-1-yl]piperidine
CID 84604219
5-(5-methyl-1,3-oxazol-2-yl)-1-[(3R)-piperidin-3-yl]pyrrolo[2,3-b]pyridin-4-amine
CID 155256811

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(3-piperidin-3-yltriazol-4-yl)-1,3-oxazole?
The IUPAC name of 4-methyl-2-(3-piperidin-3-yltriazol-4-yl)-1,3-oxazole (CID 165488359) is 4-methyl-2-(3-piperidin-3-yltriazol-4-yl)-1,3-oxazole.
What is the SMILES notation for 4-methyl-2-(3-piperidin-3-yltriazol-4-yl)-1,3-oxazole?
The canonical SMILES for 4-methyl-2-(3-piperidin-3-yltriazol-4-yl)-1,3-oxazole is Cc1coc(-c2cnnn2C2CCCNC2)n1.
What is the InChIKey of 4-methyl-2-(3-piperidin-3-yltriazol-4-yl)-1,3-oxazole?
The InChIKey is APBNICJHANJQDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O/c1-8-7-17-11(14-8)10-6-13-15-16(10)9-3-2-4-12-5-9/h6-7,9,12H,2-5H2,1H3.
What are the key properties of 4-methyl-2-(3-piperidin-3-yltriazol-4-yl)-1,3-oxazole?
4-methyl-2-(3-piperidin-3-yltriazol-4-yl)-1,3-oxazole has a molecular weight of 233.27 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(3-piperidin-3-yltriazol-4-yl)-1,3-oxazole is sourced from PubChem (CID 165488359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).