3-[2-butyl-5-(oxan-4-yl)-1,2,4-triazol-3-yl]-5-methyl-1,2-oxazole

C15H22N4O2 — CID 72900801

IUPAC3-[2-butyl-5-(oxan-4-yl)-1,2,4-triazol-3-yl]-5-methyl-1,2-oxazole
SMILESCCCCn1nc(C2CCOCC2)nc1-c1cc(C)on1
InChIInChI=1S/C15H22N4O2/c1-3-4-7-19-15(13-10-11(2)21-18-13)16-14(17-19)12-5-8-20-9-6-12/h10,12H,3-9H2,1-2H3
InChIKeyFMYRLUKPTRYFAB-UHFFFAOYSA-N
MW290.37 g/mol
LogP2.94
Rot. Bonds5

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

3-[2-butyl-5-(oxan-4-yl)-1,2,4-triazol-3-yl]-5-methyl-1,2-oxazole (PubChem CID 72900801) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 3-[2-butyl-5-(oxan-4-yl)-1,2,4-triazol-3-yl]-5-methyl-1,2-oxazole.

Molecular Properties

Compound Name3-[2-butyl-5-(oxan-4-yl)-1,2,4-triazol-3-yl]-5-methyl-1,2-oxazole
PubChem CID72900801
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name3-[2-butyl-5-(oxan-4-yl)-1,2,4-triazol-3-yl]-5-methyl-1,2-oxazole
SMILESCCCCn1nc(C2CCOCC2)nc1-c1cc(C)on1
InChIInChI=1S/C15H22N4O2/c1-3-4-7-19-15(13-10-11(2)21-18-13)16-14(17-19)12-5-8-20-9-6-12/h10,12H,3-9H2,1-2H3
InChIKeyFMYRLUKPTRYFAB-UHFFFAOYSA-N
XLogP2.94
TPSA65.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[2-butyl-5-(oxan-4-yl)-1,2,4-triazol-3-yl]-5-methyl-1,2-oxazole?
The IUPAC name of 3-[2-butyl-5-(oxan-4-yl)-1,2,4-triazol-3-yl]-5-methyl-1,2-oxazole (CID 72900801) is 3-[2-butyl-5-(oxan-4-yl)-1,2,4-triazol-3-yl]-5-methyl-1,2-oxazole.
What is the SMILES notation for 3-[2-butyl-5-(oxan-4-yl)-1,2,4-triazol-3-yl]-5-methyl-1,2-oxazole?
The canonical SMILES for 3-[2-butyl-5-(oxan-4-yl)-1,2,4-triazol-3-yl]-5-methyl-1,2-oxazole is CCCCn1nc(C2CCOCC2)nc1-c1cc(C)on1.
What is the InChIKey of 3-[2-butyl-5-(oxan-4-yl)-1,2,4-triazol-3-yl]-5-methyl-1,2-oxazole?
The InChIKey is FMYRLUKPTRYFAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-3-4-7-19-15(13-10-11(2)21-18-13)16-14(17-19)12-5-8-20-9-6-12/h10,12H,3-9H2,1-2H3.
What are the key properties of 3-[2-butyl-5-(oxan-4-yl)-1,2,4-triazol-3-yl]-5-methyl-1,2-oxazole?
3-[2-butyl-5-(oxan-4-yl)-1,2,4-triazol-3-yl]-5-methyl-1,2-oxazole has a molecular weight of 290.37 g/mol, XLogP of 2.94, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-butyl-5-(oxan-4-yl)-1,2,4-triazol-3-yl]-5-methyl-1,2-oxazole is sourced from PubChem (CID 72900801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).