5-methyl-3-(2-methylpropyl)-1,2-oxazole;4-methyl-1-(2-methylpropyl)triazole

C15H26N4O — CID 159277047

IUPAC5-methyl-3-(2-methylpropyl)-1,2-oxazole;4-methyl-1-(2-methylpropyl)triazole
SMILESCc1cc(CC(C)C)no1.Cc1cn(CC(C)C)nn1
InChIInChI=1S/C8H13NO.C7H13N3/c1-6(2)4-8-5-7(3)10-9-8;1-6(2)4-10-5-7(3)8-9-10/h2*5-6H,4H2,1-3H3
InChIKeyKYLCEPVHKQMSCT-UHFFFAOYSA-N
MW278.40 g/mol
LogP3.42
Rot. Bonds4

About 5-methyl-3-(2-methylpropyl)-1,2-oxazole;4-methyl-1-(2-methylpropyl)triazole

5-methyl-3-(2-methylpropyl)-1,2-oxazole;4-methyl-1-(2-methylpropyl)triazole (PubChem CID 159277047) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 5-methyl-3-(2-methylpropyl)-1,2-oxazole;4-methyl-1-(2-methylpropyl)triazole.

Molecular Properties

Compound Name5-methyl-3-(2-methylpropyl)-1,2-oxazole;4-methyl-1-(2-methylpropyl)triazole
PubChem CID159277047
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name5-methyl-3-(2-methylpropyl)-1,2-oxazole;4-methyl-1-(2-methylpropyl)triazole
SMILESCc1cc(CC(C)C)no1.Cc1cn(CC(C)C)nn1
InChIInChI=1S/C8H13NO.C7H13N3/c1-6(2)4-8-5-7(3)10-9-8;1-6(2)4-10-5-7(3)8-9-10/h2*5-6H,4H2,1-3H3
InChIKeyKYLCEPVHKQMSCT-UHFFFAOYSA-N
XLogP3.42
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2,3-dimethylbutyl)-5-methyl-1,2-oxazole
CID 171517933
2-methyl-N-[[1-[(5-methyl-1,2-oxazol-3-yl)methyl]triazol-4-yl]methyl]propan-1-amine
CID 66193441
4-ethyl-1-(2-methylpropyl)triazole
CID 89281755
1-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]triazol-4-yl]propan-1-amine
CID 106227470
4-(chloromethyl)-1-(2-methylpropyl)triazole
CID 62399892
1-[(5-methyl-1,2-oxazol-3-yl)methyl]triazole-4-carbaldehyde
CID 66215800
1-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]triazol-4-yl]-2-phenylethanol
CID 146135452
5-methyl-3-(4-methylpentyl)-1,2-oxazole
CID 58970609
3-[[5-(4-methoxyphenyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-5-methyl-1,2-oxazole
CID 8940101
1-[3-(2-methylpropyl)-1,2-oxazol-5-yl]ethanamine
CID 114420316
4-(4-iodobutyl)-1-(2-methylpropyl)triazole
CID 126677580
1-(2-methylpropyl)-4-octyltriazole
CID 163401173

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(2-methylpropyl)-1,2-oxazole;4-methyl-1-(2-methylpropyl)triazole?
The IUPAC name of 5-methyl-3-(2-methylpropyl)-1,2-oxazole;4-methyl-1-(2-methylpropyl)triazole (CID 159277047) is 5-methyl-3-(2-methylpropyl)-1,2-oxazole;4-methyl-1-(2-methylpropyl)triazole.
What is the SMILES notation for 5-methyl-3-(2-methylpropyl)-1,2-oxazole;4-methyl-1-(2-methylpropyl)triazole?
The canonical SMILES for 5-methyl-3-(2-methylpropyl)-1,2-oxazole;4-methyl-1-(2-methylpropyl)triazole is Cc1cc(CC(C)C)no1.Cc1cn(CC(C)C)nn1.
What is the InChIKey of 5-methyl-3-(2-methylpropyl)-1,2-oxazole;4-methyl-1-(2-methylpropyl)triazole?
The InChIKey is KYLCEPVHKQMSCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO.C7H13N3/c1-6(2)4-8-5-7(3)10-9-8;1-6(2)4-10-5-7(3)8-9-10/h2*5-6H,4H2,1-3H3.
What are the key properties of 5-methyl-3-(2-methylpropyl)-1,2-oxazole;4-methyl-1-(2-methylpropyl)triazole?
5-methyl-3-(2-methylpropyl)-1,2-oxazole;4-methyl-1-(2-methylpropyl)triazole has a molecular weight of 278.40 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(2-methylpropyl)-1,2-oxazole;4-methyl-1-(2-methylpropyl)triazole is sourced from PubChem (CID 159277047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).