(5-propan-2-yl-1,3-oxazol-2-yl)methanol

C7H11NO2 — CID 90380830

IUPAC(5-propan-2-yl-1,3-oxazol-2-yl)methanol
SMILESCC(C)c1cnc(CO)o1
InChIInChI=1S/C7H11NO2/c1-5(2)6-3-8-7(4-9)10-6/h3,5,9H,4H2,1-2H3
InChIKeyYXYXTHFCLKIRBF-UHFFFAOYSA-N
MW141.17 g/mol
LogP1.29
Rot. Bonds2

About (5-propan-2-yl-1,3-oxazol-2-yl)methanol

(5-propan-2-yl-1,3-oxazol-2-yl)methanol (PubChem CID 90380830) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is (5-propan-2-yl-1,3-oxazol-2-yl)methanol.

Molecular Properties

Compound Name(5-propan-2-yl-1,3-oxazol-2-yl)methanol
PubChem CID90380830
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name(5-propan-2-yl-1,3-oxazol-2-yl)methanol
SMILESCC(C)c1cnc(CO)o1
InChIInChI=1S/C7H11NO2/c1-5(2)6-3-8-7(4-9)10-6/h3,5,9H,4H2,1-2H3
InChIKeyYXYXTHFCLKIRBF-UHFFFAOYSA-N
XLogP1.29
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-propan-2-yl-1,3-oxazol-2-yl)methanol?
The IUPAC name of (5-propan-2-yl-1,3-oxazol-2-yl)methanol (CID 90380830) is (5-propan-2-yl-1,3-oxazol-2-yl)methanol.
What is the SMILES notation for (5-propan-2-yl-1,3-oxazol-2-yl)methanol?
The canonical SMILES for (5-propan-2-yl-1,3-oxazol-2-yl)methanol is CC(C)c1cnc(CO)o1.
What is the InChIKey of (5-propan-2-yl-1,3-oxazol-2-yl)methanol?
The InChIKey is YXYXTHFCLKIRBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2/c1-5(2)6-3-8-7(4-9)10-6/h3,5,9H,4H2,1-2H3.
What are the key properties of (5-propan-2-yl-1,3-oxazol-2-yl)methanol?
(5-propan-2-yl-1,3-oxazol-2-yl)methanol has a molecular weight of 141.17 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-propan-2-yl-1,3-oxazol-2-yl)methanol is sourced from PubChem (CID 90380830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).