(3-propyl-4,5-dihydro-1,2-oxazol-5-yl)methanol

C7H13NO2 — CID 22121098

IUPAC(3-propyl-4,5-dihydro-1,2-oxazol-5-yl)methanol
SMILESCCCC1=NOC(CO)C1
InChIInChI=1S/C7H13NO2/c1-2-3-6-4-7(5-9)10-8-6/h7,9H,2-5H2,1H3
InChIKeyXOUMWNLZDLMTEH-UHFFFAOYSA-N
MW143.19 g/mol
LogP0.92
Rot. Bonds3

About (3-propyl-4,5-dihydro-1,2-oxazol-5-yl)methanol

(3-propyl-4,5-dihydro-1,2-oxazol-5-yl)methanol (PubChem CID 22121098) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is (3-propyl-4,5-dihydro-1,2-oxazol-5-yl)methanol.

Molecular Properties

Compound Name(3-propyl-4,5-dihydro-1,2-oxazol-5-yl)methanol
PubChem CID22121098
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name(3-propyl-4,5-dihydro-1,2-oxazol-5-yl)methanol
SMILESCCCC1=NOC(CO)C1
InChIInChI=1S/C7H13NO2/c1-2-3-6-4-7(5-9)10-8-6/h7,9H,2-5H2,1H3
InChIKeyXOUMWNLZDLMTEH-UHFFFAOYSA-N
XLogP0.92
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-propyl-4,5-dihydro-1,2-oxazol-5-yl)methanol?
The IUPAC name of (3-propyl-4,5-dihydro-1,2-oxazol-5-yl)methanol (CID 22121098) is (3-propyl-4,5-dihydro-1,2-oxazol-5-yl)methanol.
What is the SMILES notation for (3-propyl-4,5-dihydro-1,2-oxazol-5-yl)methanol?
The canonical SMILES for (3-propyl-4,5-dihydro-1,2-oxazol-5-yl)methanol is CCCC1=NOC(CO)C1.
What is the InChIKey of (3-propyl-4,5-dihydro-1,2-oxazol-5-yl)methanol?
The InChIKey is XOUMWNLZDLMTEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-2-3-6-4-7(5-9)10-8-6/h7,9H,2-5H2,1H3.
What are the key properties of (3-propyl-4,5-dihydro-1,2-oxazol-5-yl)methanol?
(3-propyl-4,5-dihydro-1,2-oxazol-5-yl)methanol has a molecular weight of 143.19 g/mol, XLogP of 0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-propyl-4,5-dihydro-1,2-oxazol-5-yl)methanol is sourced from PubChem (CID 22121098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).