4-[2-[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]benzonitrile

C20H18N2O3 — CID 54399671

IUPAC4-[2-[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]benzonitrile
SMILESCOc1ccc(-c2nc(CCOc3ccc(C#N)cc3)c(C)o2)cc1
InChIInChI=1S/C20H18N2O3/c1-14-19(11-12-24-18-7-3-15(13-21)4-8-18)22-20(25-14)16-5-9-17(23-2)10-6-16/h3-10H,11-12H2,1-2H3
InChIKeyVMMXQEOLWGFPEU-UHFFFAOYSA-N
MW334.38 g/mol
LogP4.15
Rot. Bonds6

About 4-[2-[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]benzonitrile

4-[2-[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]benzonitrile (PubChem CID 54399671) has the molecular formula C20H18N2O3 and a molecular weight of 334.38 g/mol. Its IUPAC name is 4-[2-[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]benzonitrile.

Molecular Properties

Compound Name4-[2-[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]benzonitrile
PubChem CID54399671
Molecular FormulaC20H18N2O3
Molecular Weight334.38 g/mol
Exact Mass334.13
IUPAC Name4-[2-[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]benzonitrile
SMILESCOc1ccc(-c2nc(CCOc3ccc(C#N)cc3)c(C)o2)cc1
InChIInChI=1S/C20H18N2O3/c1-14-19(11-12-24-18-7-3-15(13-21)4-8-18)22-20(25-14)16-5-9-17(23-2)10-6-16/h3-10H,11-12H2,1-2H3
InChIKeyVMMXQEOLWGFPEU-UHFFFAOYSA-N
XLogP4.15
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[2-[2-[4-(4-methoxyphenyl)phenyl]-5-methyl-1,3-oxazol-4-yl]ethoxy]phenoxy]-2-methylpropanoic acid
CID 22633499
ethane;[4-[2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]ethoxy]phenyl]methanamine
CID 91034363
2-[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethyl methanesulfonate
CID 22507101
N-[[4-[2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]ethoxy]phenyl]methyl]hydroxylamine
CID 10640754
4-[2-[4-(chloromethyl)phenoxy]ethyl]-5-methyl-2-phenyl-1,3-oxazole
CID 11809594
2-[(4-methoxyphenoxy)carbonyl-[[4-[2-[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]phenyl]methyl]amino]acetic acid
CID 22087629
4-(chloromethyl)-2-(4-methoxyphenyl)-5-methyl-1,3-oxazole
CID 14479955
N-[[4-[2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]ethoxy]phenyl]methyl]-1-phenylmethanamine
CID 59964502
5-methyl-4-[2-[4-(4-methyl-2,5-dihydro-1H-pyrrol-3-yl)phenoxy]ethyl]-2-phenyl-1,3-oxazole
CID 58977394
2-methyl-2-[4-[2-[5-methyl-2-[4-(4-methylphenyl)phenyl]-1,3-oxazol-4-yl]ethoxy]phenoxy]propanoic acid
CID 59900655
4-[2-[4-(hydroperoxymethyl)-3-methylphenoxy]ethyl]-5-methyl-2-(4-methylphenyl)-1,3-oxazole
CID 59964499
methyl 3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]prop-2-enoate
CID 54227540

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]benzonitrile?
The IUPAC name of 4-[2-[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]benzonitrile (CID 54399671) is 4-[2-[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]benzonitrile.
What is the SMILES notation for 4-[2-[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]benzonitrile?
The canonical SMILES for 4-[2-[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]benzonitrile is COc1ccc(-c2nc(CCOc3ccc(C#N)cc3)c(C)o2)cc1.
What is the InChIKey of 4-[2-[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]benzonitrile?
The InChIKey is VMMXQEOLWGFPEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O3/c1-14-19(11-12-24-18-7-3-15(13-21)4-8-18)22-20(25-14)16-5-9-17(23-2)10-6-16/h3-10H,11-12H2,1-2H3.
What are the key properties of 4-[2-[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]benzonitrile?
4-[2-[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]benzonitrile has a molecular weight of 334.38 g/mol, XLogP of 4.15, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]benzonitrile is sourced from PubChem (CID 54399671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).