[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]-phenylmethanone

C17H13NO3 — CID 164620860

IUPAC[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]-phenylmethanone
SMILESCOc1cccc(-c2cnc(C(=O)c3ccccc3)o2)c1
InChIInChI=1S/C17H13NO3/c1-20-14-9-5-8-13(10-14)15-11-18-17(21-15)16(19)12-6-3-2-4-7-12/h2-11H,1H3
InChIKeyFEZMZDJAKWMWAD-UHFFFAOYSA-N
MW279.30 g/mol
LogP3.58
Rot. Bonds4

About [5-(3-methoxyphenyl)-1,3-oxazol-2-yl]-phenylmethanone

[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]-phenylmethanone (PubChem CID 164620860) has the molecular formula C17H13NO3 and a molecular weight of 279.30 g/mol. Its IUPAC name is [5-(3-methoxyphenyl)-1,3-oxazol-2-yl]-phenylmethanone.

Molecular Properties

Compound Name[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]-phenylmethanone
PubChem CID164620860
Molecular FormulaC17H13NO3
Molecular Weight279.30 g/mol
Exact Mass279.09
IUPAC Name[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]-phenylmethanone
SMILESCOc1cccc(-c2cnc(C(=O)c3ccccc3)o2)c1
InChIInChI=1S/C17H13NO3/c1-20-14-9-5-8-13(10-14)15-11-18-17(21-15)16(19)12-6-3-2-4-7-12/h2-11H,1H3
InChIKeyFEZMZDJAKWMWAD-UHFFFAOYSA-N
XLogP3.58
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-Oxo-1-[5-(2-pyridyl)oxazol-2-yl]-3-(3-(benzyloxy)phenyl)-propane
CID 16735160
1-Oxo-1-[5-(2-pyridyl)oxazol-2-yl]-7-(3-methoxyphenyl)heptane
CID 16736437
7-((1,1'-Biphenyl)-3-yloxy)-1-(1,3-oxazol-2-yl)-1-heptanone
CID 44350718
1-(5-(4-Methoxypyridin-2-yl)oxazol-2-yl)-7-phenylheptan-1-one
CID 16110651
2-Cyclohexyl-5-phenyloxazole
CID 87832
2-(3-Methoxyphenyl)-5-phenyloxazole
CID 520919
5-(4-Methoxyphenyl)-1,3-oxazole
CID 3270828
2-Methyl-5-Phenyl-1,3-Oxazole
CID 248491
5-Phenyl-2-(4-(piperidin-1-yl)butyl)oxazole
CID 52946272
3-(4-Phenoxyphenyl)-1-[5-(trifluoromethyl)-1,3-oxazol-2-yl]propan-1-one
CID 24799820
2-[3-(4-Phenoxyphenyl)propanoyl]-1,3-oxazole-5-carbonitrile
CID 24799824
2-[3-[4-(Phenoxymethyl)phenyl]propanoyl]-1,3-oxazole-5-carbonitrile
CID 24800335

Frequently Asked Questions

What is the IUPAC name of [5-(3-methoxyphenyl)-1,3-oxazol-2-yl]-phenylmethanone?
The IUPAC name of [5-(3-methoxyphenyl)-1,3-oxazol-2-yl]-phenylmethanone (CID 164620860) is [5-(3-methoxyphenyl)-1,3-oxazol-2-yl]-phenylmethanone.
What is the SMILES notation for [5-(3-methoxyphenyl)-1,3-oxazol-2-yl]-phenylmethanone?
The canonical SMILES for [5-(3-methoxyphenyl)-1,3-oxazol-2-yl]-phenylmethanone is COc1cccc(-c2cnc(C(=O)c3ccccc3)o2)c1.
What is the InChIKey of [5-(3-methoxyphenyl)-1,3-oxazol-2-yl]-phenylmethanone?
The InChIKey is FEZMZDJAKWMWAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO3/c1-20-14-9-5-8-13(10-14)15-11-18-17(21-15)16(19)12-6-3-2-4-7-12/h2-11H,1H3.
What are the key properties of [5-(3-methoxyphenyl)-1,3-oxazol-2-yl]-phenylmethanone?
[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]-phenylmethanone has a molecular weight of 279.30 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-methoxyphenyl)-1,3-oxazol-2-yl]-phenylmethanone is sourced from PubChem (CID 164620860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).