[5-[1-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]triazol-4-yl]furan-2-yl]methanol

C15H18N4O3 — CID 72917445

IUPAC[5-[1-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]triazol-4-yl]furan-2-yl]methanol
SMILESCC(C)Cc1cc(Cn2cc(-c3ccc(CO)o3)nn2)no1
InChIInChI=1S/C15H18N4O3/c1-10(2)5-13-6-11(17-22-13)7-19-8-14(16-18-19)15-4-3-12(9-20)21-15/h3-4,6,8,10,20H,5,7,9H2,1-2H3
InChIKeyUJNJHNVMXKKXDX-UHFFFAOYSA-N
MW302.33 g/mol
LogP2.27
Rot. Bonds6

About [5-[1-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]triazol-4-yl]furan-2-yl]methanol

[5-[1-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]triazol-4-yl]furan-2-yl]methanol (PubChem CID 72917445) has the molecular formula C15H18N4O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is [5-[1-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]triazol-4-yl]furan-2-yl]methanol.

Molecular Properties

Compound Name[5-[1-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]triazol-4-yl]furan-2-yl]methanol
PubChem CID72917445
Molecular FormulaC15H18N4O3
Molecular Weight302.33 g/mol
Exact Mass302.14
IUPAC Name[5-[1-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]triazol-4-yl]furan-2-yl]methanol
SMILESCC(C)Cc1cc(Cn2cc(-c3ccc(CO)o3)nn2)no1
InChIInChI=1S/C15H18N4O3/c1-10(2)5-13-6-11(17-22-13)7-19-8-14(16-18-19)15-4-3-12(9-20)21-15/h3-4,6,8,10,20H,5,7,9H2,1-2H3
InChIKeyUJNJHNVMXKKXDX-UHFFFAOYSA-N
XLogP2.27
TPSA90.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [5-[1-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]triazol-4-yl]furan-2-yl]methanol?
The IUPAC name of [5-[1-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]triazol-4-yl]furan-2-yl]methanol (CID 72917445) is [5-[1-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]triazol-4-yl]furan-2-yl]methanol.
What is the SMILES notation for [5-[1-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]triazol-4-yl]furan-2-yl]methanol?
The canonical SMILES for [5-[1-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]triazol-4-yl]furan-2-yl]methanol is CC(C)Cc1cc(Cn2cc(-c3ccc(CO)o3)nn2)no1.
What is the InChIKey of [5-[1-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]triazol-4-yl]furan-2-yl]methanol?
The InChIKey is UJNJHNVMXKKXDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3/c1-10(2)5-13-6-11(17-22-13)7-19-8-14(16-18-19)15-4-3-12(9-20)21-15/h3-4,6,8,10,20H,5,7,9H2,1-2H3.
What are the key properties of [5-[1-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]triazol-4-yl]furan-2-yl]methanol?
[5-[1-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]triazol-4-yl]furan-2-yl]methanol has a molecular weight of 302.33 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[1-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]triazol-4-yl]furan-2-yl]methanol is sourced from PubChem (CID 72917445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).