[5-(1-cyclopropylethyl)-1,3-oxazol-4-yl]methanol

C9H13NO2 — CID 83151884

IUPAC[5-(1-cyclopropylethyl)-1,3-oxazol-4-yl]methanol
SMILESCC(c1ocnc1CO)C1CC1
InChIInChI=1S/C9H13NO2/c1-6(7-2-3-7)9-8(4-11)10-5-12-9/h5-7,11H,2-4H2,1H3
InChIKeyQNFODKUDZADIKV-UHFFFAOYSA-N
MW167.21 g/mol
LogP1.68
Rot. Bonds3

About [5-(1-cyclopropylethyl)-1,3-oxazol-4-yl]methanol

[5-(1-cyclopropylethyl)-1,3-oxazol-4-yl]methanol (PubChem CID 83151884) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is [5-(1-cyclopropylethyl)-1,3-oxazol-4-yl]methanol.

Molecular Properties

Compound Name[5-(1-cyclopropylethyl)-1,3-oxazol-4-yl]methanol
PubChem CID83151884
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Name[5-(1-cyclopropylethyl)-1,3-oxazol-4-yl]methanol
SMILESCC(c1ocnc1CO)C1CC1
InChIInChI=1S/C9H13NO2/c1-6(7-2-3-7)9-8(4-11)10-5-12-9/h5-7,11H,2-4H2,1H3
InChIKeyQNFODKUDZADIKV-UHFFFAOYSA-N
XLogP1.68
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-(1-cyclopropylethyl)-1,3-oxazol-4-yl]methanol?
The IUPAC name of [5-(1-cyclopropylethyl)-1,3-oxazol-4-yl]methanol (CID 83151884) is [5-(1-cyclopropylethyl)-1,3-oxazol-4-yl]methanol.
What is the SMILES notation for [5-(1-cyclopropylethyl)-1,3-oxazol-4-yl]methanol?
The canonical SMILES for [5-(1-cyclopropylethyl)-1,3-oxazol-4-yl]methanol is CC(c1ocnc1CO)C1CC1.
What is the InChIKey of [5-(1-cyclopropylethyl)-1,3-oxazol-4-yl]methanol?
The InChIKey is QNFODKUDZADIKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2/c1-6(7-2-3-7)9-8(4-11)10-5-12-9/h5-7,11H,2-4H2,1H3.
What are the key properties of [5-(1-cyclopropylethyl)-1,3-oxazol-4-yl]methanol?
[5-(1-cyclopropylethyl)-1,3-oxazol-4-yl]methanol has a molecular weight of 167.21 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(1-cyclopropylethyl)-1,3-oxazol-4-yl]methanol is sourced from PubChem (CID 83151884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).