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

C19H17NO5 — CID 53363700

IUPAC(2-phenyl-1,3-oxazol-4-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2coc(-c3ccccc3)n2)cc(OC)c1OC
InChIInChI=1S/C19H17NO5/c1-22-15-9-13(10-16(23-2)18(15)24-3)17(21)14-11-25-19(20-14)12-7-5-4-6-8-12/h4-11H,1-3H3
InChIKeyYSZWUFPOMPOSSS-UHFFFAOYSA-N
MW339.35 g/mol
LogP3.60
Rot. Bonds6

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

(2-phenyl-1,3-oxazol-4-yl)-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 53363700) has the molecular formula C19H17NO5 and a molecular weight of 339.35 g/mol. Its IUPAC name is (2-phenyl-1,3-oxazol-4-yl)-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name(2-phenyl-1,3-oxazol-4-yl)-(3,4,5-trimethoxyphenyl)methanone
PubChem CID53363700
Molecular FormulaC19H17NO5
Molecular Weight339.35 g/mol
Exact Mass339.11
IUPAC Name(2-phenyl-1,3-oxazol-4-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2coc(-c3ccccc3)n2)cc(OC)c1OC
InChIInChI=1S/C19H17NO5/c1-22-15-9-13(10-16(23-2)18(15)24-3)17(21)14-11-25-19(20-14)12-7-5-4-6-8-12/h4-11H,1-3H3
InChIKeyYSZWUFPOMPOSSS-UHFFFAOYSA-N
XLogP3.60
TPSA70.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2-phenyl-1,3-oxazol-4-yl)-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of (2-phenyl-1,3-oxazol-4-yl)-(3,4,5-trimethoxyphenyl)methanone (CID 53363700) is (2-phenyl-1,3-oxazol-4-yl)-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for (2-phenyl-1,3-oxazol-4-yl)-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for (2-phenyl-1,3-oxazol-4-yl)-(3,4,5-trimethoxyphenyl)methanone is COc1cc(C(=O)c2coc(-c3ccccc3)n2)cc(OC)c1OC.
What is the InChIKey of (2-phenyl-1,3-oxazol-4-yl)-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is YSZWUFPOMPOSSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO5/c1-22-15-9-13(10-16(23-2)18(15)24-3)17(21)14-11-25-19(20-14)12-7-5-4-6-8-12/h4-11H,1-3H3.
What are the key properties of (2-phenyl-1,3-oxazol-4-yl)-(3,4,5-trimethoxyphenyl)methanone?
(2-phenyl-1,3-oxazol-4-yl)-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 339.35 g/mol, XLogP of 3.60, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenyl-1,3-oxazol-4-yl)-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 53363700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).