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

C18H23N3O4 — CID 75461732

IUPAC3-methyl-N-[[3-[2-(methylamino)-2-oxoethoxy]phenyl]methyl]-5-propan-2-yl-1,2-oxazole-4-carboxamide
SMILESCNC(=O)COc1cccc(CNC(=O)c2c(C)noc2C(C)C)c1
InChIInChI=1S/C18H23N3O4/c1-11(2)17-16(12(3)21-25-17)18(23)20-9-13-6-5-7-14(8-13)24-10-15(22)19-4/h5-8,11H,9-10H2,1-4H3,(H,19,22)(H,20,23)
InChIKeyARPDJHIBTYQUTO-UHFFFAOYSA-N
MW345.40 g/mol
LogP2.16
Rot. Bonds7

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

3-methyl-N-[[3-[2-(methylamino)-2-oxoethoxy]phenyl]methyl]-5-propan-2-yl-1,2-oxazole-4-carboxamide (PubChem CID 75461732) has the molecular formula C18H23N3O4 and a molecular weight of 345.40 g/mol. Its IUPAC name is 3-methyl-N-[[3-[2-(methylamino)-2-oxoethoxy]phenyl]methyl]-5-propan-2-yl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[[3-[2-(methylamino)-2-oxoethoxy]phenyl]methyl]-5-propan-2-yl-1,2-oxazole-4-carboxamide
PubChem CID75461732
Molecular FormulaC18H23N3O4
Molecular Weight345.40 g/mol
Exact Mass345.17
IUPAC Name3-methyl-N-[[3-[2-(methylamino)-2-oxoethoxy]phenyl]methyl]-5-propan-2-yl-1,2-oxazole-4-carboxamide
SMILESCNC(=O)COc1cccc(CNC(=O)c2c(C)noc2C(C)C)c1
InChIInChI=1S/C18H23N3O4/c1-11(2)17-16(12(3)21-25-17)18(23)20-9-13-6-5-7-14(8-13)24-10-15(22)19-4/h5-8,11H,9-10H2,1-4H3,(H,19,22)(H,20,23)
InChIKeyARPDJHIBTYQUTO-UHFFFAOYSA-N
XLogP2.16
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[[3-[2-(methylamino)-2-oxoethoxy]phenyl]methyl]-5-propan-2-yl-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-methyl-N-[[3-[2-(methylamino)-2-oxoethoxy]phenyl]methyl]-5-propan-2-yl-1,2-oxazole-4-carboxamide (CID 75461732) is 3-methyl-N-[[3-[2-(methylamino)-2-oxoethoxy]phenyl]methyl]-5-propan-2-yl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-methyl-N-[[3-[2-(methylamino)-2-oxoethoxy]phenyl]methyl]-5-propan-2-yl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-methyl-N-[[3-[2-(methylamino)-2-oxoethoxy]phenyl]methyl]-5-propan-2-yl-1,2-oxazole-4-carboxamide is CNC(=O)COc1cccc(CNC(=O)c2c(C)noc2C(C)C)c1.
What is the InChIKey of 3-methyl-N-[[3-[2-(methylamino)-2-oxoethoxy]phenyl]methyl]-5-propan-2-yl-1,2-oxazole-4-carboxamide?
The InChIKey is ARPDJHIBTYQUTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4/c1-11(2)17-16(12(3)21-25-17)18(23)20-9-13-6-5-7-14(8-13)24-10-15(22)19-4/h5-8,11H,9-10H2,1-4H3,(H,19,22)(H,20,23).
What are the key properties of 3-methyl-N-[[3-[2-(methylamino)-2-oxoethoxy]phenyl]methyl]-5-propan-2-yl-1,2-oxazole-4-carboxamide?
3-methyl-N-[[3-[2-(methylamino)-2-oxoethoxy]phenyl]methyl]-5-propan-2-yl-1,2-oxazole-4-carboxamide has a molecular weight of 345.40 g/mol, XLogP of 2.16, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[[3-[2-(methylamino)-2-oxoethoxy]phenyl]methyl]-5-propan-2-yl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 75461732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).