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

C14H23N3O3 — CID 47403451

IUPAC3-methyl-N-[2-(methylamino)-2-oxoethyl]-5-propan-2-yl-N-propyl-1,2-oxazole-4-carboxamide
SMILESCCCN(CC(=O)NC)C(=O)c1c(C)noc1C(C)C
InChIInChI=1S/C14H23N3O3/c1-6-7-17(8-11(18)15-5)14(19)12-10(4)16-20-13(12)9(2)3/h9H,6-8H2,1-5H3,(H,15,18)
InChIKeyLGSXRXGFSSPARL-UHFFFAOYSA-N
MW281.36 g/mol
LogP1.70
Rot. Bonds6

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

3-methyl-N-[2-(methylamino)-2-oxoethyl]-5-propan-2-yl-N-propyl-1,2-oxazole-4-carboxamide (PubChem CID 47403451) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is 3-methyl-N-[2-(methylamino)-2-oxoethyl]-5-propan-2-yl-N-propyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[2-(methylamino)-2-oxoethyl]-5-propan-2-yl-N-propyl-1,2-oxazole-4-carboxamide
PubChem CID47403451
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name3-methyl-N-[2-(methylamino)-2-oxoethyl]-5-propan-2-yl-N-propyl-1,2-oxazole-4-carboxamide
SMILESCCCN(CC(=O)NC)C(=O)c1c(C)noc1C(C)C
InChIInChI=1S/C14H23N3O3/c1-6-7-17(8-11(18)15-5)14(19)12-10(4)16-20-13(12)9(2)3/h9H,6-8H2,1-5H3,(H,15,18)
InChIKeyLGSXRXGFSSPARL-UHFFFAOYSA-N
XLogP1.70
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-(methylamino)-2-oxoethyl]-5-propan-2-yl-N-propyl-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-methyl-N-[2-(methylamino)-2-oxoethyl]-5-propan-2-yl-N-propyl-1,2-oxazole-4-carboxamide (CID 47403451) is 3-methyl-N-[2-(methylamino)-2-oxoethyl]-5-propan-2-yl-N-propyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-methyl-N-[2-(methylamino)-2-oxoethyl]-5-propan-2-yl-N-propyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-methyl-N-[2-(methylamino)-2-oxoethyl]-5-propan-2-yl-N-propyl-1,2-oxazole-4-carboxamide is CCCN(CC(=O)NC)C(=O)c1c(C)noc1C(C)C.
What is the InChIKey of 3-methyl-N-[2-(methylamino)-2-oxoethyl]-5-propan-2-yl-N-propyl-1,2-oxazole-4-carboxamide?
The InChIKey is LGSXRXGFSSPARL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-6-7-17(8-11(18)15-5)14(19)12-10(4)16-20-13(12)9(2)3/h9H,6-8H2,1-5H3,(H,15,18).
What are the key properties of 3-methyl-N-[2-(methylamino)-2-oxoethyl]-5-propan-2-yl-N-propyl-1,2-oxazole-4-carboxamide?
3-methyl-N-[2-(methylamino)-2-oxoethyl]-5-propan-2-yl-N-propyl-1,2-oxazole-4-carboxamide has a molecular weight of 281.36 g/mol, XLogP of 1.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-(methylamino)-2-oxoethyl]-5-propan-2-yl-N-propyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 47403451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).