(5-acetyl-2-methoxyphenyl)methyl 3,5-dimethyl-1,2-oxazole-4-carboxylate

C16H17NO5 — CID 2535734

IUPAC(5-acetyl-2-methoxyphenyl)methyl 3,5-dimethyl-1,2-oxazole-4-carboxylate
SMILESCOc1ccc(C(C)=O)cc1COC(=O)c1c(C)noc1C
InChIInChI=1S/C16H17NO5/c1-9-15(11(3)22-17-9)16(19)21-8-13-7-12(10(2)18)5-6-14(13)20-4/h5-7H,8H2,1-4H3
InChIKeyMVKGNLZDWGXTOF-UHFFFAOYSA-N
MW303.31 g/mol
LogP2.86
Rot. Bonds5

About (5-acetyl-2-methoxyphenyl)methyl 3,5-dimethyl-1,2-oxazole-4-carboxylate

(5-acetyl-2-methoxyphenyl)methyl 3,5-dimethyl-1,2-oxazole-4-carboxylate (PubChem CID 2535734) has the molecular formula C16H17NO5 and a molecular weight of 303.31 g/mol. Its IUPAC name is (5-acetyl-2-methoxyphenyl)methyl 3,5-dimethyl-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Name(5-acetyl-2-methoxyphenyl)methyl 3,5-dimethyl-1,2-oxazole-4-carboxylate
PubChem CID2535734
Molecular FormulaC16H17NO5
Molecular Weight303.31 g/mol
Exact Mass303.11
IUPAC Name(5-acetyl-2-methoxyphenyl)methyl 3,5-dimethyl-1,2-oxazole-4-carboxylate
SMILESCOc1ccc(C(C)=O)cc1COC(=O)c1c(C)noc1C
InChIInChI=1S/C16H17NO5/c1-9-15(11(3)22-17-9)16(19)21-8-13-7-12(10(2)18)5-6-14(13)20-4/h5-7H,8H2,1-4H3
InChIKeyMVKGNLZDWGXTOF-UHFFFAOYSA-N
XLogP2.86
TPSA78.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.31
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5-acetyl-2-methoxyphenyl)methyl 3,5-dimethyl-1,2-oxazole-4-carboxylate?
The IUPAC name of (5-acetyl-2-methoxyphenyl)methyl 3,5-dimethyl-1,2-oxazole-4-carboxylate (CID 2535734) is (5-acetyl-2-methoxyphenyl)methyl 3,5-dimethyl-1,2-oxazole-4-carboxylate.
What is the SMILES notation for (5-acetyl-2-methoxyphenyl)methyl 3,5-dimethyl-1,2-oxazole-4-carboxylate?
The canonical SMILES for (5-acetyl-2-methoxyphenyl)methyl 3,5-dimethyl-1,2-oxazole-4-carboxylate is COc1ccc(C(C)=O)cc1COC(=O)c1c(C)noc1C.
What is the InChIKey of (5-acetyl-2-methoxyphenyl)methyl 3,5-dimethyl-1,2-oxazole-4-carboxylate?
The InChIKey is MVKGNLZDWGXTOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO5/c1-9-15(11(3)22-17-9)16(19)21-8-13-7-12(10(2)18)5-6-14(13)20-4/h5-7H,8H2,1-4H3.
What are the key properties of (5-acetyl-2-methoxyphenyl)methyl 3,5-dimethyl-1,2-oxazole-4-carboxylate?
(5-acetyl-2-methoxyphenyl)methyl 3,5-dimethyl-1,2-oxazole-4-carboxylate has a molecular weight of 303.31 g/mol, XLogP of 2.86, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-acetyl-2-methoxyphenyl)methyl 3,5-dimethyl-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 2535734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).