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

C16H15NO2 — CID 10800861

IUPAC5-(4-methoxyphenyl)-3-phenyl-4,5-dihydro-1,2-oxazole
SMILESCOc1ccc(C2CC(c3ccccc3)=NO2)cc1
InChIInChI=1S/C16H15NO2/c1-18-14-9-7-13(8-10-14)16-11-15(17-19-16)12-5-3-2-4-6-12/h2-10,16H,11H2,1H3
InChIKeyGVKKSHZCCVBTDR-UHFFFAOYSA-N
MW253.30 g/mol
LogP3.56
Rot. Bonds3

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

5-(4-methoxyphenyl)-3-phenyl-4,5-dihydro-1,2-oxazole (PubChem CID 10800861) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-3-phenyl-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-3-phenyl-4,5-dihydro-1,2-oxazole
PubChem CID10800861
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC Name5-(4-methoxyphenyl)-3-phenyl-4,5-dihydro-1,2-oxazole
SMILESCOc1ccc(C2CC(c3ccccc3)=NO2)cc1
InChIInChI=1S/C16H15NO2/c1-18-14-9-7-13(8-10-14)16-11-15(17-19-16)12-5-3-2-4-6-12/h2-10,16H,11H2,1H3
InChIKeyGVKKSHZCCVBTDR-UHFFFAOYSA-N
XLogP3.56
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-Methoxyphenyl)ethanone [1-(3-methoxyphenyl)ethylidene]hydrazone
CID 5331696
Phosphonic acid, (4,5-dihydro-3-(4-methoxyphenyl)-5-isoxazolyl)-
CID 3079438
4,5-Dihydro-2-(4-methoxyphenyl)-4,4-dimethyloxazole
CID 359337
N-[1-(4-methoxyphenyl)ethylidene]hydroxylamine
CID 5397262
(5R)-5-benzyl-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole
CID 26433643
(5R)-5-benzyl-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole
CID 71561706
(5R)-5-benzyl-3-(3-methoxyphenyl)-4,5-dihydro-1,2-oxazole
CID 71561710
(5R)-5-benzyl-3-(4-methoxyphenyl)-1,4,2-dioxazole
CID 71561839
5-benzyl-3-(4-methoxyphenyl)-5-methyl-4H-1,2-oxazole
CID 59544955
[Bis(4-methoxyphenyl)methylidene]hydrazine
CID 259399
1-(4-Methoxyphenyl)ethanone oxime
CID 5355943
N-[4-(4-methoxyphenyl)butan-2-ylidene]hydroxylamine
CID 11229314

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-3-phenyl-4,5-dihydro-1,2-oxazole?
The IUPAC name of 5-(4-methoxyphenyl)-3-phenyl-4,5-dihydro-1,2-oxazole (CID 10800861) is 5-(4-methoxyphenyl)-3-phenyl-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 5-(4-methoxyphenyl)-3-phenyl-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 5-(4-methoxyphenyl)-3-phenyl-4,5-dihydro-1,2-oxazole is COc1ccc(C2CC(c3ccccc3)=NO2)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-3-phenyl-4,5-dihydro-1,2-oxazole?
The InChIKey is GVKKSHZCCVBTDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2/c1-18-14-9-7-13(8-10-14)16-11-15(17-19-16)12-5-3-2-4-6-12/h2-10,16H,11H2,1H3.
What are the key properties of 5-(4-methoxyphenyl)-3-phenyl-4,5-dihydro-1,2-oxazole?
5-(4-methoxyphenyl)-3-phenyl-4,5-dihydro-1,2-oxazole has a molecular weight of 253.30 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-3-phenyl-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 10800861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).