[3-(3-propan-2-ylimidazol-4-yl)-1,2-oxazol-5-yl]methanol

C10H13N3O2 — CID 66164777

IUPAC[3-(3-propan-2-ylimidazol-4-yl)-1,2-oxazol-5-yl]methanol
SMILESCC(C)n1cncc1-c1cc(CO)on1
InChIInChI=1S/C10H13N3O2/c1-7(2)13-6-11-4-10(13)9-3-8(5-14)15-12-9/h3-4,6-7,14H,5H2,1-2H3
InChIKeyFHDZTJBUOHJXKO-UHFFFAOYSA-N
MW207.23 g/mol
LogP1.61
Rot. Bonds3

About [3-(3-propan-2-ylimidazol-4-yl)-1,2-oxazol-5-yl]methanol

[3-(3-propan-2-ylimidazol-4-yl)-1,2-oxazol-5-yl]methanol (PubChem CID 66164777) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is [3-(3-propan-2-ylimidazol-4-yl)-1,2-oxazol-5-yl]methanol.

Molecular Properties

Compound Name[3-(3-propan-2-ylimidazol-4-yl)-1,2-oxazol-5-yl]methanol
PubChem CID66164777
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name[3-(3-propan-2-ylimidazol-4-yl)-1,2-oxazol-5-yl]methanol
SMILESCC(C)n1cncc1-c1cc(CO)on1
InChIInChI=1S/C10H13N3O2/c1-7(2)13-6-11-4-10(13)9-3-8(5-14)15-12-9/h3-4,6-7,14H,5H2,1-2H3
InChIKeyFHDZTJBUOHJXKO-UHFFFAOYSA-N
XLogP1.61
TPSA64.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-(3-propan-2-ylimidazol-4-yl)-1,2-oxazol-5-yl]methanol?
The IUPAC name of [3-(3-propan-2-ylimidazol-4-yl)-1,2-oxazol-5-yl]methanol (CID 66164777) is [3-(3-propan-2-ylimidazol-4-yl)-1,2-oxazol-5-yl]methanol.
What is the SMILES notation for [3-(3-propan-2-ylimidazol-4-yl)-1,2-oxazol-5-yl]methanol?
The canonical SMILES for [3-(3-propan-2-ylimidazol-4-yl)-1,2-oxazol-5-yl]methanol is CC(C)n1cncc1-c1cc(CO)on1.
What is the InChIKey of [3-(3-propan-2-ylimidazol-4-yl)-1,2-oxazol-5-yl]methanol?
The InChIKey is FHDZTJBUOHJXKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c1-7(2)13-6-11-4-10(13)9-3-8(5-14)15-12-9/h3-4,6-7,14H,5H2,1-2H3.
What are the key properties of [3-(3-propan-2-ylimidazol-4-yl)-1,2-oxazol-5-yl]methanol?
[3-(3-propan-2-ylimidazol-4-yl)-1,2-oxazol-5-yl]methanol has a molecular weight of 207.23 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-propan-2-ylimidazol-4-yl)-1,2-oxazol-5-yl]methanol is sourced from PubChem (CID 66164777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).