[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate

C17H20N2O5 — CID 7561037

IUPAC[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
SMILESCOc1ccccc1CN(C)C(=O)COC(=O)c1c(C)noc1C
InChIInChI=1S/C17H20N2O5/c1-11-16(12(2)24-18-11)17(21)23-10-15(20)19(3)9-13-7-5-6-8-14(13)22-4/h5-8H,9-10H2,1-4H3
InChIKeyQAJMCHRQLMJYPD-UHFFFAOYSA-N
MW332.36 g/mol
LogP2.12
Rot. Bonds6

About [2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate

[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate (PubChem CID 7561037) has the molecular formula C17H20N2O5 and a molecular weight of 332.36 g/mol. Its IUPAC name is [2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Name[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
PubChem CID7561037
Molecular FormulaC17H20N2O5
Molecular Weight332.36 g/mol
Exact Mass332.14
IUPAC Name[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
SMILESCOc1ccccc1CN(C)C(=O)COC(=O)c1c(C)noc1C
InChIInChI=1S/C17H20N2O5/c1-11-16(12(2)24-18-11)17(21)23-10-15(20)19(3)9-13-7-5-6-8-14(13)22-4/h5-8H,9-10H2,1-4H3
InChIKeyQAJMCHRQLMJYPD-UHFFFAOYSA-N
XLogP2.12
TPSA81.87 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate?
The IUPAC name of [2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate (CID 7561037) is [2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate.
What is the SMILES notation for [2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate?
The canonical SMILES for [2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate is COc1ccccc1CN(C)C(=O)COC(=O)c1c(C)noc1C.
What is the InChIKey of [2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate?
The InChIKey is QAJMCHRQLMJYPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O5/c1-11-16(12(2)24-18-11)17(21)23-10-15(20)19(3)9-13-7-5-6-8-14(13)22-4/h5-8H,9-10H2,1-4H3.
What are the key properties of [2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate?
[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate has a molecular weight of 332.36 g/mol, XLogP of 2.12, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 7561037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).