3,5-dimethyl-N-[[3-[2-(methylamino)-2-oxoethoxy]phenyl]methyl]-1,2-oxazole-4-carboxamide

C16H19N3O4 — CID 75461733

IUPAC3,5-dimethyl-N-[[3-[2-(methylamino)-2-oxoethoxy]phenyl]methyl]-1,2-oxazole-4-carboxamide
SMILESCNC(=O)COc1cccc(CNC(=O)c2c(C)noc2C)c1
InChIInChI=1S/C16H19N3O4/c1-10-15(11(2)23-19-10)16(21)18-8-12-5-4-6-13(7-12)22-9-14(20)17-3/h4-7H,8-9H2,1-3H3,(H,17,20)(H,18,21)
InChIKeyHQNPUXYEWHGIOO-UHFFFAOYSA-N
MW317.35 g/mol
LogP1.35
Rot. Bonds6

About 3,5-dimethyl-N-[[3-[2-(methylamino)-2-oxoethoxy]phenyl]methyl]-1,2-oxazole-4-carboxamide

3,5-dimethyl-N-[[3-[2-(methylamino)-2-oxoethoxy]phenyl]methyl]-1,2-oxazole-4-carboxamide (PubChem CID 75461733) has the molecular formula C16H19N3O4 and a molecular weight of 317.35 g/mol. Its IUPAC name is 3,5-dimethyl-N-[[3-[2-(methylamino)-2-oxoethoxy]phenyl]methyl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[[3-[2-(methylamino)-2-oxoethoxy]phenyl]methyl]-1,2-oxazole-4-carboxamide
PubChem CID75461733
Molecular FormulaC16H19N3O4
Molecular Weight317.35 g/mol
Exact Mass317.14
IUPAC Name3,5-dimethyl-N-[[3-[2-(methylamino)-2-oxoethoxy]phenyl]methyl]-1,2-oxazole-4-carboxamide
SMILESCNC(=O)COc1cccc(CNC(=O)c2c(C)noc2C)c1
InChIInChI=1S/C16H19N3O4/c1-10-15(11(2)23-19-10)16(21)18-8-12-5-4-6-13(7-12)22-9-14(20)17-3/h4-7H,8-9H2,1-3H3,(H,17,20)(H,18,21)
InChIKeyHQNPUXYEWHGIOO-UHFFFAOYSA-N
XLogP1.35
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[[3-[2-(methylamino)-2-oxoethoxy]phenyl]methyl]-1,2-oxazole-4-carboxamide?
The IUPAC name of 3,5-dimethyl-N-[[3-[2-(methylamino)-2-oxoethoxy]phenyl]methyl]-1,2-oxazole-4-carboxamide (CID 75461733) is 3,5-dimethyl-N-[[3-[2-(methylamino)-2-oxoethoxy]phenyl]methyl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3,5-dimethyl-N-[[3-[2-(methylamino)-2-oxoethoxy]phenyl]methyl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3,5-dimethyl-N-[[3-[2-(methylamino)-2-oxoethoxy]phenyl]methyl]-1,2-oxazole-4-carboxamide is CNC(=O)COc1cccc(CNC(=O)c2c(C)noc2C)c1.
What is the InChIKey of 3,5-dimethyl-N-[[3-[2-(methylamino)-2-oxoethoxy]phenyl]methyl]-1,2-oxazole-4-carboxamide?
The InChIKey is HQNPUXYEWHGIOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4/c1-10-15(11(2)23-19-10)16(21)18-8-12-5-4-6-13(7-12)22-9-14(20)17-3/h4-7H,8-9H2,1-3H3,(H,17,20)(H,18,21).
What are the key properties of 3,5-dimethyl-N-[[3-[2-(methylamino)-2-oxoethoxy]phenyl]methyl]-1,2-oxazole-4-carboxamide?
3,5-dimethyl-N-[[3-[2-(methylamino)-2-oxoethoxy]phenyl]methyl]-1,2-oxazole-4-carboxamide has a molecular weight of 317.35 g/mol, XLogP of 1.35, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[[3-[2-(methylamino)-2-oxoethoxy]phenyl]methyl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 75461733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).