5-[(E)-2-methoxyprop-1-enyl]-3,4-dimethyl-1,2-oxazole

C9H13NO2 — CID 89311834

IUPAC5-[(E)-2-methoxyprop-1-enyl]-3,4-dimethyl-1,2-oxazole
SMILESCO/C(C)=C/c1onc(C)c1C
InChIInChI=1S/C9H13NO2/c1-6(11-4)5-9-7(2)8(3)10-12-9/h5H,1-4H3/b6-5+
InChIKeyQLDALUGUDMWBGR-AATRIKPKSA-N
MW167.21 g/mol
LogP2.30
Rot. Bonds2

About 5-[(E)-2-methoxyprop-1-enyl]-3,4-dimethyl-1,2-oxazole

5-[(E)-2-methoxyprop-1-enyl]-3,4-dimethyl-1,2-oxazole (PubChem CID 89311834) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is 5-[(E)-2-methoxyprop-1-enyl]-3,4-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name5-[(E)-2-methoxyprop-1-enyl]-3,4-dimethyl-1,2-oxazole
PubChem CID89311834
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Name5-[(E)-2-methoxyprop-1-enyl]-3,4-dimethyl-1,2-oxazole
SMILESCO/C(C)=C/c1onc(C)c1C
InChIInChI=1S/C9H13NO2/c1-6(11-4)5-9-7(2)8(3)10-12-9/h5H,1-4H3/b6-5+
InChIKeyQLDALUGUDMWBGR-AATRIKPKSA-N
XLogP2.30
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(E)-2-methoxyprop-1-enyl]-3,4-dimethyl-1,2-oxazole?
The IUPAC name of 5-[(E)-2-methoxyprop-1-enyl]-3,4-dimethyl-1,2-oxazole (CID 89311834) is 5-[(E)-2-methoxyprop-1-enyl]-3,4-dimethyl-1,2-oxazole.
What is the SMILES notation for 5-[(E)-2-methoxyprop-1-enyl]-3,4-dimethyl-1,2-oxazole?
The canonical SMILES for 5-[(E)-2-methoxyprop-1-enyl]-3,4-dimethyl-1,2-oxazole is CO/C(C)=C/c1onc(C)c1C.
What is the InChIKey of 5-[(E)-2-methoxyprop-1-enyl]-3,4-dimethyl-1,2-oxazole?
The InChIKey is QLDALUGUDMWBGR-AATRIKPKSA-N. The full InChI is InChI=1S/C9H13NO2/c1-6(11-4)5-9-7(2)8(3)10-12-9/h5H,1-4H3/b6-5+.
What are the key properties of 5-[(E)-2-methoxyprop-1-enyl]-3,4-dimethyl-1,2-oxazole?
5-[(E)-2-methoxyprop-1-enyl]-3,4-dimethyl-1,2-oxazole has a molecular weight of 167.21 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-2-methoxyprop-1-enyl]-3,4-dimethyl-1,2-oxazole is sourced from PubChem (CID 89311834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).