(3,5-dimethoxyphenyl)-(2-phenyl-1,3-oxazol-4-yl)methanone

C18H15NO4 — CID 67120454

IUPAC(3,5-dimethoxyphenyl)-(2-phenyl-1,3-oxazol-4-yl)methanone
SMILESCOc1cc(OC)cc(C(=O)c2coc(-c3ccccc3)n2)c1
InChIInChI=1S/C18H15NO4/c1-21-14-8-13(9-15(10-14)22-2)17(20)16-11-23-18(19-16)12-6-4-3-5-7-12/h3-11H,1-2H3
InChIKeyKPETVALHBIKUMX-UHFFFAOYSA-N
MW309.32 g/mol
LogP3.59
Rot. Bonds5

About (3,5-dimethoxyphenyl)-(2-phenyl-1,3-oxazol-4-yl)methanone

(3,5-dimethoxyphenyl)-(2-phenyl-1,3-oxazol-4-yl)methanone (PubChem CID 67120454) has the molecular formula C18H15NO4 and a molecular weight of 309.32 g/mol. Its IUPAC name is (3,5-dimethoxyphenyl)-(2-phenyl-1,3-oxazol-4-yl)methanone.

Molecular Properties

Compound Name(3,5-dimethoxyphenyl)-(2-phenyl-1,3-oxazol-4-yl)methanone
PubChem CID67120454
Molecular FormulaC18H15NO4
Molecular Weight309.32 g/mol
Exact Mass309.10
IUPAC Name(3,5-dimethoxyphenyl)-(2-phenyl-1,3-oxazol-4-yl)methanone
SMILESCOc1cc(OC)cc(C(=O)c2coc(-c3ccccc3)n2)c1
InChIInChI=1S/C18H15NO4/c1-21-14-8-13(9-15(10-14)22-2)17(20)16-11-23-18(19-16)12-6-4-3-5-7-12/h3-11H,1-2H3
InChIKeyKPETVALHBIKUMX-UHFFFAOYSA-N
XLogP3.59
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-(4-Hydroxyphenyl)-1,3-oxazol-2-yl]phenol
CID 25192184
Methyl 7-(2-(2-(4-methoxyphenyl)-5-methyloxazol-4-yl)ethoxy)-2-oxo-2H-chromene-3-carboxylate
CID 25147933
Methyl 7-(2-(5-methyl-2-p-tolyloxazol-4-yl)ethoxy)-2-oxo-2H-chromene-3-carboxylate
CID 25149125
{3-[(5-Methyl-2-Phenyl-1,3-Oxazol-4-Yl)methoxy]phenyl}methanol
CID 11140977
Methyl 7-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2-oxochromene-3-carboxylate
CID 10363902
Tert-butyl 7-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2-oxochromene-3-carboxylate
CID 10388918
Anticancer agent 73
CID 20064063
Benzyl 2-phenyloxazole-4-carboxylate
CID 46866387
(2-Phenyl-4-oxazolyl)(3,4,5-trimethoxyphenyl)methanone
CID 53363700
Ethyl 2-phenyl-1,3-oxazole-4-carboxylate
CID 571056
Methyl 7-(2-(2-(3-methoxyphenyl)-5-methyloxazol-4-yl)ethoxy)-2-oxo-2H-chromene-3-carboxylate
CID 25149124
Benzyl 2-(3-fluorophenyl)oxazole-4-carboxylate
CID 46201705

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethoxyphenyl)-(2-phenyl-1,3-oxazol-4-yl)methanone?
The IUPAC name of (3,5-dimethoxyphenyl)-(2-phenyl-1,3-oxazol-4-yl)methanone (CID 67120454) is (3,5-dimethoxyphenyl)-(2-phenyl-1,3-oxazol-4-yl)methanone.
What is the SMILES notation for (3,5-dimethoxyphenyl)-(2-phenyl-1,3-oxazol-4-yl)methanone?
The canonical SMILES for (3,5-dimethoxyphenyl)-(2-phenyl-1,3-oxazol-4-yl)methanone is COc1cc(OC)cc(C(=O)c2coc(-c3ccccc3)n2)c1.
What is the InChIKey of (3,5-dimethoxyphenyl)-(2-phenyl-1,3-oxazol-4-yl)methanone?
The InChIKey is KPETVALHBIKUMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO4/c1-21-14-8-13(9-15(10-14)22-2)17(20)16-11-23-18(19-16)12-6-4-3-5-7-12/h3-11H,1-2H3.
What are the key properties of (3,5-dimethoxyphenyl)-(2-phenyl-1,3-oxazol-4-yl)methanone?
(3,5-dimethoxyphenyl)-(2-phenyl-1,3-oxazol-4-yl)methanone has a molecular weight of 309.32 g/mol, XLogP of 3.59, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethoxyphenyl)-(2-phenyl-1,3-oxazol-4-yl)methanone is sourced from PubChem (CID 67120454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).