(2-cyclopropyl-1,3-oxazol-4-yl)methanol

C7H9NO2 — CID 53399651

IUPAC(2-cyclopropyl-1,3-oxazol-4-yl)methanol
SMILESOCc1coc(C2CC2)n1
InChIInChI=1S/C7H9NO2/c9-3-6-4-10-7(8-6)5-1-2-5/h4-5,9H,1-3H2
InChIKeyWCWHZRKJEGJBFS-UHFFFAOYSA-N
MW139.15 g/mol
LogP1.04
Rot. Bonds2

About (2-cyclopropyl-1,3-oxazol-4-yl)methanol

(2-cyclopropyl-1,3-oxazol-4-yl)methanol (PubChem CID 53399651) has the molecular formula C7H9NO2 and a molecular weight of 139.15 g/mol. Its IUPAC name is (2-cyclopropyl-1,3-oxazol-4-yl)methanol.

Molecular Properties

Compound Name(2-cyclopropyl-1,3-oxazol-4-yl)methanol
PubChem CID53399651
Molecular FormulaC7H9NO2
Molecular Weight139.15 g/mol
Exact Mass139.06
IUPAC Name(2-cyclopropyl-1,3-oxazol-4-yl)methanol
SMILESOCc1coc(C2CC2)n1
InChIInChI=1S/C7H9NO2/c9-3-6-4-10-7(8-6)5-1-2-5/h4-5,9H,1-3H2
InChIKeyWCWHZRKJEGJBFS-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 (2-cyclopropyl-1,3-oxazol-4-yl)methanol?
The IUPAC name of (2-cyclopropyl-1,3-oxazol-4-yl)methanol (CID 53399651) is (2-cyclopropyl-1,3-oxazol-4-yl)methanol.
What is the SMILES notation for (2-cyclopropyl-1,3-oxazol-4-yl)methanol?
The canonical SMILES for (2-cyclopropyl-1,3-oxazol-4-yl)methanol is OCc1coc(C2CC2)n1.
What is the InChIKey of (2-cyclopropyl-1,3-oxazol-4-yl)methanol?
The InChIKey is WCWHZRKJEGJBFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2/c9-3-6-4-10-7(8-6)5-1-2-5/h4-5,9H,1-3H2.
What are the key properties of (2-cyclopropyl-1,3-oxazol-4-yl)methanol?
(2-cyclopropyl-1,3-oxazol-4-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 (2-cyclopropyl-1,3-oxazol-4-yl)methanol is sourced from PubChem (CID 53399651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).