4-(dimethoxymethyl)-3-methyl-5-phenyl-4,5-dihydro-1,2-oxazole

C13H17NO3 — CID 71324526

IUPAC4-(dimethoxymethyl)-3-methyl-5-phenyl-4,5-dihydro-1,2-oxazole
SMILESCOC(OC)C1C(C)=NOC1c1ccccc1
InChIInChI=1S/C13H17NO3/c1-9-11(13(15-2)16-3)12(17-14-9)10-7-5-4-6-8-10/h4-8,11-13H,1-3H3
InChIKeyIENCRPKFEJHYNL-UHFFFAOYSA-N
MW235.28 g/mol
LogP2.37
Rot. Bonds4

About 4-(dimethoxymethyl)-3-methyl-5-phenyl-4,5-dihydro-1,2-oxazole

4-(dimethoxymethyl)-3-methyl-5-phenyl-4,5-dihydro-1,2-oxazole (PubChem CID 71324526) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 4-(dimethoxymethyl)-3-methyl-5-phenyl-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name4-(dimethoxymethyl)-3-methyl-5-phenyl-4,5-dihydro-1,2-oxazole
PubChem CID71324526
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name4-(dimethoxymethyl)-3-methyl-5-phenyl-4,5-dihydro-1,2-oxazole
SMILESCOC(OC)C1C(C)=NOC1c1ccccc1
InChIInChI=1S/C13H17NO3/c1-9-11(13(15-2)16-3)12(17-14-9)10-7-5-4-6-8-10/h4-8,11-13H,1-3H3
InChIKeyIENCRPKFEJHYNL-UHFFFAOYSA-N
XLogP2.37
TPSA40.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 4-(dimethoxymethyl)-3-methyl-5-phenyl-4,5-dihydro-1,2-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4S,5S)-3-methyl-4,5-diphenyl-4,5-dihydro-1,2-oxazole
CID 101126246
(3-methyl-5-phenyl-4,5-dihydro-1,2-oxazol-4-yl)-phenylmethanone
CID 10849287
(5R)-3-methyl-5-[(4R,5R)-3-methyl-5-phenyl-4,5-dihydro-1,2-oxazol-4-yl]-1,4,2-dioxazole
CID 165341529
5-(3-fluorophenyl)-3-methyl-4,5-dihydro-1,2-oxazole-4-carboxylic acid
CID 70316261
(4S,5S)-5-(4-methoxyphenyl)-3-phenyl-4,5-dihydro-1,2-oxazole-4-carboxylic acid
CID 95988226
(4R,5R)-5-(4-methoxyphenyl)-3-phenyl-4,5-dihydro-1,2-oxazole-4-carboxylic acid
CID 95988225
(5S)-3-bromo-5-phenyl-4,5-dihydro-1,2-oxazole;(5R)-3-bromo-5-phenyl-4,5-dihydro-1,2-oxazole
CID 159139120
3-(4-methoxyphenyl)-5-phenyl-1,4,2-dioxazole
CID 590944
(3S,4S)-3,4-diphenyldioxetane
CID 71394517
2,3,5,6,8,9,11,12,14,15-decakis-phenyl-1,4,7,10,13-pentaoxacyclopentadecane
CID 20606657
(4S,5S)-5-phenyl-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole-4-carboxamide
CID 102186329
(2R,4S)-2-methoxy-2-methyl-4-phenyl-3,4-dihydrobenzo[g]chromene-5,10-dione
CID 13220457

Frequently Asked Questions

What is the IUPAC name of 4-(dimethoxymethyl)-3-methyl-5-phenyl-4,5-dihydro-1,2-oxazole?
The IUPAC name of 4-(dimethoxymethyl)-3-methyl-5-phenyl-4,5-dihydro-1,2-oxazole (CID 71324526) is 4-(dimethoxymethyl)-3-methyl-5-phenyl-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 4-(dimethoxymethyl)-3-methyl-5-phenyl-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 4-(dimethoxymethyl)-3-methyl-5-phenyl-4,5-dihydro-1,2-oxazole is COC(OC)C1C(C)=NOC1c1ccccc1.
What is the InChIKey of 4-(dimethoxymethyl)-3-methyl-5-phenyl-4,5-dihydro-1,2-oxazole?
The InChIKey is IENCRPKFEJHYNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-9-11(13(15-2)16-3)12(17-14-9)10-7-5-4-6-8-10/h4-8,11-13H,1-3H3.
What are the key properties of 4-(dimethoxymethyl)-3-methyl-5-phenyl-4,5-dihydro-1,2-oxazole?
4-(dimethoxymethyl)-3-methyl-5-phenyl-4,5-dihydro-1,2-oxazole has a molecular weight of 235.28 g/mol, XLogP of 2.37, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethoxymethyl)-3-methyl-5-phenyl-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 71324526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).