5-(dimethoxymethyl)-2-phenyl-1,3-oxazole

C12H13NO3 — CID 177437797

IUPAC5-(dimethoxymethyl)-2-phenyl-1,3-oxazole
SMILESCOC(OC)c1cnc(-c2ccccc2)o1
InChIInChI=1S/C12H13NO3/c1-14-12(15-2)10-8-13-11(16-10)9-6-4-3-5-7-9/h3-8,12H,1-2H3
InChIKeyDPKLLYIBLHGHMH-UHFFFAOYSA-N
MW219.24 g/mol
LogP2.63
Rot. Bonds4

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

5-(dimethoxymethyl)-2-phenyl-1,3-oxazole (PubChem CID 177437797) has the molecular formula C12H13NO3 and a molecular weight of 219.24 g/mol. Its IUPAC name is 5-(dimethoxymethyl)-2-phenyl-1,3-oxazole.

Molecular Properties

Compound Name5-(dimethoxymethyl)-2-phenyl-1,3-oxazole
PubChem CID177437797
Molecular FormulaC12H13NO3
Molecular Weight219.24 g/mol
Exact Mass219.09
IUPAC Name5-(dimethoxymethyl)-2-phenyl-1,3-oxazole
SMILESCOC(OC)c1cnc(-c2ccccc2)o1
InChIInChI=1S/C12H13NO3/c1-14-12(15-2)10-8-13-11(16-10)9-6-4-3-5-7-9/h3-8,12H,1-2H3
InChIKeyDPKLLYIBLHGHMH-UHFFFAOYSA-N
XLogP2.63
TPSA44.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-phenyl-1,3-oxazol-5-yl)ethanol
CID 115087081
2-(2-phenyl-1,3-oxazol-5-yl)propan-1-amine
CID 115087133
N-methyl-N,2-diphenyl-1,3-oxazol-5-amine
CID 575782
(R)-2-methyl-N-[(1R)-1-(2-phenyl-1,3-oxazol-5-yl)ethyl]propane-2-sulfinamide
CID 170789384
5-(4-methylphenyl)-2-phenyl-1,3-oxazole
CID 3946772
5-[(4-methoxyphenyl)methyl]-2-phenyl-1,3-oxazole
CID 102463231
2-(4-phenylphenyl)-5-(4-propan-2-ylphenyl)-1,3-oxazole
CID 71327926
2-(1-methoxyethyl)-5-phenyl-1,3,4-oxadiazole
CID 118528215
2-phenyl-1,3-oxazole-5-carbonitrile
CID 130055318
5-[(1S,2S)-2-methylcyclopropyl]-2-phenyl-1,3-oxazole
CID 130467178
5-(2,6-dimethyl-4-phenylphenyl)-2-phenyl-1,3-oxazole
CID 140714662
5-(5-methylthiophen-2-yl)-2-phenyl-1,3-oxazole
CID 14424350

Frequently Asked Questions

What is the IUPAC name of 5-(dimethoxymethyl)-2-phenyl-1,3-oxazole?
The IUPAC name of 5-(dimethoxymethyl)-2-phenyl-1,3-oxazole (CID 177437797) is 5-(dimethoxymethyl)-2-phenyl-1,3-oxazole.
What is the SMILES notation for 5-(dimethoxymethyl)-2-phenyl-1,3-oxazole?
The canonical SMILES for 5-(dimethoxymethyl)-2-phenyl-1,3-oxazole is COC(OC)c1cnc(-c2ccccc2)o1.
What is the InChIKey of 5-(dimethoxymethyl)-2-phenyl-1,3-oxazole?
The InChIKey is DPKLLYIBLHGHMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3/c1-14-12(15-2)10-8-13-11(16-10)9-6-4-3-5-7-9/h3-8,12H,1-2H3.
What are the key properties of 5-(dimethoxymethyl)-2-phenyl-1,3-oxazole?
5-(dimethoxymethyl)-2-phenyl-1,3-oxazole has a molecular weight of 219.24 g/mol, XLogP of 2.63, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethoxymethyl)-2-phenyl-1,3-oxazole is sourced from PubChem (CID 177437797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).