2-(1-methoxy-2-phenylethenyl)-4,4-dimethyl-5H-1,3-oxazole

C14H17NO2 — CID 3041212

IUPAC2-(1-methoxy-2-phenylethenyl)-4,4-dimethyl-5H-1,3-oxazole
SMILESCOC(=Cc1ccccc1)C1=NC(C)(C)CO1
InChIInChI=1S/C14H17NO2/c1-14(2)10-17-13(15-14)12(16-3)9-11-7-5-4-6-8-11/h4-9H,10H2,1-3H3
InChIKeyLWKLBRCUOUNIHI-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.88
Rot. Bonds3

About 2-(1-methoxy-2-phenylethenyl)-4,4-dimethyl-5H-1,3-oxazole

2-(1-methoxy-2-phenylethenyl)-4,4-dimethyl-5H-1,3-oxazole (PubChem CID 3041212) has the molecular formula C14H17NO2 and a molecular weight of 231.30 g/mol. Its IUPAC name is 2-(1-methoxy-2-phenylethenyl)-4,4-dimethyl-5H-1,3-oxazole.

Molecular Properties

Compound Name2-(1-methoxy-2-phenylethenyl)-4,4-dimethyl-5H-1,3-oxazole
PubChem CID3041212
Molecular FormulaC14H17NO2
Molecular Weight231.30 g/mol
Exact Mass231.13
IUPAC Name2-(1-methoxy-2-phenylethenyl)-4,4-dimethyl-5H-1,3-oxazole
SMILESCOC(=Cc1ccccc1)C1=NC(C)(C)CO1
InChIInChI=1S/C14H17NO2/c1-14(2)10-17-13(15-14)12(16-3)9-11-7-5-4-6-8-11/h4-9H,10H2,1-3H3
InChIKeyLWKLBRCUOUNIHI-UHFFFAOYSA-N
XLogP2.88
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.88
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 2-(1-methoxy-2-phenylethenyl)-4,4-dimethyl-5H-1,3-oxazole?
The IUPAC name of 2-(1-methoxy-2-phenylethenyl)-4,4-dimethyl-5H-1,3-oxazole (CID 3041212) is 2-(1-methoxy-2-phenylethenyl)-4,4-dimethyl-5H-1,3-oxazole.
What is the SMILES notation for 2-(1-methoxy-2-phenylethenyl)-4,4-dimethyl-5H-1,3-oxazole?
The canonical SMILES for 2-(1-methoxy-2-phenylethenyl)-4,4-dimethyl-5H-1,3-oxazole is COC(=Cc1ccccc1)C1=NC(C)(C)CO1.
What is the InChIKey of 2-(1-methoxy-2-phenylethenyl)-4,4-dimethyl-5H-1,3-oxazole?
The InChIKey is LWKLBRCUOUNIHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-14(2)10-17-13(15-14)12(16-3)9-11-7-5-4-6-8-11/h4-9H,10H2,1-3H3.
What are the key properties of 2-(1-methoxy-2-phenylethenyl)-4,4-dimethyl-5H-1,3-oxazole?
2-(1-methoxy-2-phenylethenyl)-4,4-dimethyl-5H-1,3-oxazole has a molecular weight of 231.30 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxy-2-phenylethenyl)-4,4-dimethyl-5H-1,3-oxazole is sourced from PubChem (CID 3041212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).