2-methyl-N-[3-[2-methyl-1-(oxan-2-yloxy)propan-2-yl]-1,2-oxazol-5-yl]-2-[methyl-[2-(oxolan-3-yl)acetyl]amino]propanamide

C23H37N3O6 — CID 77477724

IUPAC2-methyl-N-[3-[2-methyl-1-(oxan-2-yloxy)propan-2-yl]-1,2-oxazol-5-yl]-2-[methyl-[2-(oxolan-3-yl)acetyl]amino]propanamide
SMILESCN(C(=O)CC1CCOC1)C(C)(C)C(=O)Nc1cc(C(C)(C)COC2CCCCO2)no1
InChIInChI=1S/C23H37N3O6/c1-22(2,15-31-20-8-6-7-10-30-20)17-13-18(32-25-17)24-21(28)23(3,4)26(5)19(27)12-16-9-11-29-14-16/h13,16,20H,6-12,14-15H2,1-5H3,(H,24,28)
InChIKeyPLXLXPCVZMJZSC-UHFFFAOYSA-N
MW451.56 g/mol
LogP3.10
Rot. Bonds9

About 2-methyl-N-[3-[2-methyl-1-(oxan-2-yloxy)propan-2-yl]-1,2-oxazol-5-yl]-2-[methyl-[2-(oxolan-3-yl)acetyl]amino]propanamide

2-methyl-N-[3-[2-methyl-1-(oxan-2-yloxy)propan-2-yl]-1,2-oxazol-5-yl]-2-[methyl-[2-(oxolan-3-yl)acetyl]amino]propanamide (PubChem CID 77477724) has the molecular formula C23H37N3O6 and a molecular weight of 451.56 g/mol. Its IUPAC name is 2-methyl-N-[3-[2-methyl-1-(oxan-2-yloxy)propan-2-yl]-1,2-oxazol-5-yl]-2-[methyl-[2-(oxolan-3-yl)acetyl]amino]propanamide.

Molecular Properties

Compound Name2-methyl-N-[3-[2-methyl-1-(oxan-2-yloxy)propan-2-yl]-1,2-oxazol-5-yl]-2-[methyl-[2-(oxolan-3-yl)acetyl]amino]propanamide
PubChem CID77477724
Molecular FormulaC23H37N3O6
Molecular Weight451.56 g/mol
Exact Mass451.27
IUPAC Name2-methyl-N-[3-[2-methyl-1-(oxan-2-yloxy)propan-2-yl]-1,2-oxazol-5-yl]-2-[methyl-[2-(oxolan-3-yl)acetyl]amino]propanamide
SMILESCN(C(=O)CC1CCOC1)C(C)(C)C(=O)Nc1cc(C(C)(C)COC2CCCCO2)no1
InChIInChI=1S/C23H37N3O6/c1-22(2,15-31-20-8-6-7-10-30-20)17-13-18(32-25-17)24-21(28)23(3,4)26(5)19(27)12-16-9-11-29-14-16/h13,16,20H,6-12,14-15H2,1-5H3,(H,24,28)
InChIKeyPLXLXPCVZMJZSC-UHFFFAOYSA-N
XLogP3.10
TPSA103.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.56
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-methyl-N-[3-[2-methyl-1-(oxan-2-yloxy)propan-2-yl]-1,2-oxazol-5-yl]-2-[methyl-[2-(oxolan-3-yl)acetyl]amino]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-[2-methyl-1-(oxan-2-yloxy)propan-2-yl]-1,2-oxazol-5-yl]-2-[methyl-[2-(oxolan-3-yl)acetyl]amino]propanamide?
The IUPAC name of 2-methyl-N-[3-[2-methyl-1-(oxan-2-yloxy)propan-2-yl]-1,2-oxazol-5-yl]-2-[methyl-[2-(oxolan-3-yl)acetyl]amino]propanamide (CID 77477724) is 2-methyl-N-[3-[2-methyl-1-(oxan-2-yloxy)propan-2-yl]-1,2-oxazol-5-yl]-2-[methyl-[2-(oxolan-3-yl)acetyl]amino]propanamide.
What is the SMILES notation for 2-methyl-N-[3-[2-methyl-1-(oxan-2-yloxy)propan-2-yl]-1,2-oxazol-5-yl]-2-[methyl-[2-(oxolan-3-yl)acetyl]amino]propanamide?
The canonical SMILES for 2-methyl-N-[3-[2-methyl-1-(oxan-2-yloxy)propan-2-yl]-1,2-oxazol-5-yl]-2-[methyl-[2-(oxolan-3-yl)acetyl]amino]propanamide is CN(C(=O)CC1CCOC1)C(C)(C)C(=O)Nc1cc(C(C)(C)COC2CCCCO2)no1.
What is the InChIKey of 2-methyl-N-[3-[2-methyl-1-(oxan-2-yloxy)propan-2-yl]-1,2-oxazol-5-yl]-2-[methyl-[2-(oxolan-3-yl)acetyl]amino]propanamide?
The InChIKey is PLXLXPCVZMJZSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37N3O6/c1-22(2,15-31-20-8-6-7-10-30-20)17-13-18(32-25-17)24-21(28)23(3,4)26(5)19(27)12-16-9-11-29-14-16/h13,16,20H,6-12,14-15H2,1-5H3,(H,24,28).
What are the key properties of 2-methyl-N-[3-[2-methyl-1-(oxan-2-yloxy)propan-2-yl]-1,2-oxazol-5-yl]-2-[methyl-[2-(oxolan-3-yl)acetyl]amino]propanamide?
2-methyl-N-[3-[2-methyl-1-(oxan-2-yloxy)propan-2-yl]-1,2-oxazol-5-yl]-2-[methyl-[2-(oxolan-3-yl)acetyl]amino]propanamide has a molecular weight of 451.56 g/mol, XLogP of 3.10, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-[2-methyl-1-(oxan-2-yloxy)propan-2-yl]-1,2-oxazol-5-yl]-2-[methyl-[2-(oxolan-3-yl)acetyl]amino]propanamide is sourced from PubChem (CID 77477724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).