1-[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propan-2-one

C21H21NO3 — CID 59067238

IUPAC1-[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propan-2-one
SMILESCC(=O)Cc1cccc(OCCc2nc(-c3ccccc3)oc2C)c1
InChIInChI=1S/C21H21NO3/c1-15(23)13-17-7-6-10-19(14-17)24-12-11-20-16(2)25-21(22-20)18-8-4-3-5-9-18/h3-10,14H,11-13H2,1-2H3
InChIKeyNCMGBZKNINAAJD-UHFFFAOYSA-N
MW335.40 g/mol
LogP4.40
Rot. Bonds7

About 1-[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propan-2-one

1-[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propan-2-one (PubChem CID 59067238) has the molecular formula C21H21NO3 and a molecular weight of 335.40 g/mol. Its IUPAC name is 1-[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propan-2-one.

Molecular Properties

Compound Name1-[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propan-2-one
PubChem CID59067238
Molecular FormulaC21H21NO3
Molecular Weight335.40 g/mol
Exact Mass335.15
IUPAC Name1-[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propan-2-one
SMILESCC(=O)Cc1cccc(OCCc2nc(-c3ccccc3)oc2C)c1
InChIInChI=1S/C21H21NO3/c1-15(23)13-17-7-6-10-19(14-17)24-12-11-20-16(2)25-21(22-20)18-8-4-3-5-9-18/h3-10,14H,11-13H2,1-2H3
InChIKeyNCMGBZKNINAAJD-UHFFFAOYSA-N
XLogP4.40
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-2-phenyl-4-[2-(3-propylphenoxy)ethyl]-1,3-oxazole
CID 23402836
3-[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propanal
CID 58977434
2-[3-[2-[2-[4-(dimethylamino)phenyl]-5-methyl-1,3-oxazol-4-yl]ethoxy]phenyl]acetic acid
CID 22169844
2-[benzyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid
CID 16739272
2-[3-[2-[5-methyl-2-[4-(2-methylpropyl)phenyl]-1,3-oxazol-4-yl]ethoxy]phenyl]acetic acid
CID 22169970
2-methyl-2-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methylsulfanyl]propanoic acid
CID 22169941
methyl 6-[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]hexanoate
CID 23568566
2-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-[(3-phenoxyphenyl)methyl]amino]acetic acid
CID 22087544
methyl 2-[3-[2-(5-methyl-2-pyridin-3-yl-1,3-oxazol-4-yl)ethoxy]phenyl]acetate
CID 23552055
2-diazo-4-[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]-3-oxo-N-phenylbutanamide;methane
CID 158962693
2-cyclopropyl-N-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]acetamide
CID 173167337
N-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]cyclobutanecarboxamide
CID 141066815

Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propan-2-one?
The IUPAC name of 1-[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propan-2-one (CID 59067238) is 1-[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propan-2-one.
What is the SMILES notation for 1-[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propan-2-one?
The canonical SMILES for 1-[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propan-2-one is CC(=O)Cc1cccc(OCCc2nc(-c3ccccc3)oc2C)c1.
What is the InChIKey of 1-[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propan-2-one?
The InChIKey is NCMGBZKNINAAJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO3/c1-15(23)13-17-7-6-10-19(14-17)24-12-11-20-16(2)25-21(22-20)18-8-4-3-5-9-18/h3-10,14H,11-13H2,1-2H3.
What are the key properties of 1-[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propan-2-one?
1-[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propan-2-one has a molecular weight of 335.40 g/mol, XLogP of 4.40, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propan-2-one is sourced from PubChem (CID 59067238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).