5-[5-methyl-2-(2-methyl-4-pyridinyl)-1,2,4-triazol-3-yl]-3-propan-2-yl-1,2-oxazole

C15H17N5O — CID 50950296

IUPAC5-[5-methyl-2-(2-methyl-4-pyridinyl)-1,2,4-triazol-3-yl]-3-propan-2-yl-1,2-oxazole
SMILESCc1cc(-n2nc(C)nc2-c2cc(C(C)C)no2)ccn1
InChIInChI=1S/C15H17N5O/c1-9(2)13-8-14(21-19-13)15-17-11(4)18-20(15)12-5-6-16-10(3)7-12/h5-9H,1-4H3
InChIKeyRVIDOSMPDRMTPY-UHFFFAOYSA-N
MW283.33 g/mol
LogP3.06
Rot. Bonds3

About 5-[5-methyl-2-(2-methyl-4-pyridinyl)-1,2,4-triazol-3-yl]-3-propan-2-yl-1,2-oxazole

5-[5-methyl-2-(2-methyl-4-pyridinyl)-1,2,4-triazol-3-yl]-3-propan-2-yl-1,2-oxazole (PubChem CID 50950296) has the molecular formula C15H17N5O and a molecular weight of 283.33 g/mol. Its IUPAC name is 5-[5-methyl-2-(2-methyl-4-pyridinyl)-1,2,4-triazol-3-yl]-3-propan-2-yl-1,2-oxazole.

Molecular Properties

Compound Name5-[5-methyl-2-(2-methyl-4-pyridinyl)-1,2,4-triazol-3-yl]-3-propan-2-yl-1,2-oxazole
PubChem CID50950296
Molecular FormulaC15H17N5O
Molecular Weight283.33 g/mol
Exact Mass283.14
IUPAC Name5-[5-methyl-2-(2-methyl-4-pyridinyl)-1,2,4-triazol-3-yl]-3-propan-2-yl-1,2-oxazole
SMILESCc1cc(-n2nc(C)nc2-c2cc(C(C)C)no2)ccn1
InChIInChI=1S/C15H17N5O/c1-9(2)13-8-14(21-19-13)15-17-11(4)18-20(15)12-5-6-16-10(3)7-12/h5-9H,1-4H3
InChIKeyRVIDOSMPDRMTPY-UHFFFAOYSA-N
XLogP3.06
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[5-methyl-2-(2-methyl-4-pyridinyl)-1,2,4-triazol-3-yl]-3-propan-2-yl-1,2-oxazole with MolForge

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Related Compounds

2-methyl-4-(3-propan-2-ylpyrazol-1-yl)pyridine
CID 118593098
4-[5-(2,3-difluoro-6-methoxyphenyl)-3-methyl-1,2,4-triazol-1-yl]-2-methylpyridine
CID 74247116
1-methyl-3-[5-methyl-2-(2-methyl-4-pyridinyl)-1,2,4-triazol-3-yl]-5,6,7,8-tetrahydroquinolin-2-one
CID 74244216
N-[[4-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-pyridinyl]methyl]propan-2-amine
CID 55059314
5-(3,4-dichlorophenyl)-3-propan-2-yl-1,2-oxazole
CID 71198283
2-(2-methyl-4-pyridinyl)-4-propan-2-yl-1,3-oxazole
CID 167038806
2-ethyl-5-[[2-(2-methyl-4-pyridinyl)-5-propan-2-yl-1,2,4-triazol-3-yl]methylsulfanyl]-1,3,4-oxadiazole
CID 50949907
(2S)-1-[2-(2-methyl-4-pyridinyl)pyrazol-3-yl]butan-2-ol
CID 141290935
5-(6-chloro-4-fluoro-3-pyridinyl)-3-propan-2-yl-1,2-oxazole
CID 167426157
5-[5-cyclopropyl-2-(2-methyl-4-pyridinyl)-1,2,4-triazol-3-yl]-1H-1,2,4-triazol-3-amine
CID 50982735
5-(5-fluoro-2-propan-2-ylphenyl)-3-propan-2-yl-1,2-oxazole
CID 138571044
3,5-di(propan-2-yl)-1,2-oxazole;methane
CID 160901645

Frequently Asked Questions

What is the IUPAC name of 5-[5-methyl-2-(2-methyl-4-pyridinyl)-1,2,4-triazol-3-yl]-3-propan-2-yl-1,2-oxazole?
The IUPAC name of 5-[5-methyl-2-(2-methyl-4-pyridinyl)-1,2,4-triazol-3-yl]-3-propan-2-yl-1,2-oxazole (CID 50950296) is 5-[5-methyl-2-(2-methyl-4-pyridinyl)-1,2,4-triazol-3-yl]-3-propan-2-yl-1,2-oxazole.
What is the SMILES notation for 5-[5-methyl-2-(2-methyl-4-pyridinyl)-1,2,4-triazol-3-yl]-3-propan-2-yl-1,2-oxazole?
The canonical SMILES for 5-[5-methyl-2-(2-methyl-4-pyridinyl)-1,2,4-triazol-3-yl]-3-propan-2-yl-1,2-oxazole is Cc1cc(-n2nc(C)nc2-c2cc(C(C)C)no2)ccn1.
What is the InChIKey of 5-[5-methyl-2-(2-methyl-4-pyridinyl)-1,2,4-triazol-3-yl]-3-propan-2-yl-1,2-oxazole?
The InChIKey is RVIDOSMPDRMTPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O/c1-9(2)13-8-14(21-19-13)15-17-11(4)18-20(15)12-5-6-16-10(3)7-12/h5-9H,1-4H3.
What are the key properties of 5-[5-methyl-2-(2-methyl-4-pyridinyl)-1,2,4-triazol-3-yl]-3-propan-2-yl-1,2-oxazole?
5-[5-methyl-2-(2-methyl-4-pyridinyl)-1,2,4-triazol-3-yl]-3-propan-2-yl-1,2-oxazole has a molecular weight of 283.33 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-methyl-2-(2-methyl-4-pyridinyl)-1,2,4-triazol-3-yl]-3-propan-2-yl-1,2-oxazole is sourced from PubChem (CID 50950296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).