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

C7H9NO2 — CID 115011339

IUPAC(5-cyclopropyl-1,3-oxazol-2-yl)methanol
SMILESOCc1ncc(C2CC2)o1
InChIInChI=1S/C7H9NO2/c9-4-7-8-3-6(10-7)5-1-2-5/h3,5,9H,1-2,4H2
InChIKeyAADZAEMPXNITJL-UHFFFAOYSA-N
MW139.15 g/mol
LogP1.04
Rot. Bonds2

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

(5-cyclopropyl-1,3-oxazol-2-yl)methanol (PubChem CID 115011339) has the molecular formula C7H9NO2 and a molecular weight of 139.15 g/mol. Its IUPAC name is (5-cyclopropyl-1,3-oxazol-2-yl)methanol.

Molecular Properties

Compound Name(5-cyclopropyl-1,3-oxazol-2-yl)methanol
PubChem CID115011339
Molecular FormulaC7H9NO2
Molecular Weight139.15 g/mol
Exact Mass139.06
IUPAC Name(5-cyclopropyl-1,3-oxazol-2-yl)methanol
SMILESOCc1ncc(C2CC2)o1
InChIInChI=1S/C7H9NO2/c9-4-7-8-3-6(10-7)5-1-2-5/h3,5,9H,1-2,4H2
InChIKeyAADZAEMPXNITJL-UHFFFAOYSA-N
XLogP1.04
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.15
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-cyclopropyl-1,3-oxazol-2-yl)methanol?
The IUPAC name of (5-cyclopropyl-1,3-oxazol-2-yl)methanol (CID 115011339) is (5-cyclopropyl-1,3-oxazol-2-yl)methanol.
What is the SMILES notation for (5-cyclopropyl-1,3-oxazol-2-yl)methanol?
The canonical SMILES for (5-cyclopropyl-1,3-oxazol-2-yl)methanol is OCc1ncc(C2CC2)o1.
What is the InChIKey of (5-cyclopropyl-1,3-oxazol-2-yl)methanol?
The InChIKey is AADZAEMPXNITJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2/c9-4-7-8-3-6(10-7)5-1-2-5/h3,5,9H,1-2,4H2.
What are the key properties of (5-cyclopropyl-1,3-oxazol-2-yl)methanol?
(5-cyclopropyl-1,3-oxazol-2-yl)methanol has a molecular weight of 139.15 g/mol, XLogP of 1.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyclopropyl-1,3-oxazol-2-yl)methanol is sourced from PubChem (CID 115011339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).