methyl 2-[[cyclopropanecarbonyl(2-methoxyethyl)amino]methyl]-1,3-oxazole-4-carboxylate

C13H18N2O5 — CID 4539284

IUPACmethyl 2-[[cyclopropanecarbonyl(2-methoxyethyl)amino]methyl]-1,3-oxazole-4-carboxylate
SMILESCOCCN(Cc1nc(C(=O)OC)co1)C(=O)C1CC1
InChIInChI=1S/C13H18N2O5/c1-18-6-5-15(12(16)9-3-4-9)7-11-14-10(8-20-11)13(17)19-2/h8-9H,3-7H2,1-2H3
InChIKeyQQQPQVGSPHRGIS-UHFFFAOYSA-N
MW282.30 g/mol
LogP0.85
Rot. Bonds7

About methyl 2-[[cyclopropanecarbonyl(2-methoxyethyl)amino]methyl]-1,3-oxazole-4-carboxylate

methyl 2-[[cyclopropanecarbonyl(2-methoxyethyl)amino]methyl]-1,3-oxazole-4-carboxylate (PubChem CID 4539284) has the molecular formula C13H18N2O5 and a molecular weight of 282.30 g/mol. Its IUPAC name is methyl 2-[[cyclopropanecarbonyl(2-methoxyethyl)amino]methyl]-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[cyclopropanecarbonyl(2-methoxyethyl)amino]methyl]-1,3-oxazole-4-carboxylate
PubChem CID4539284
Molecular FormulaC13H18N2O5
Molecular Weight282.30 g/mol
Exact Mass282.12
IUPAC Namemethyl 2-[[cyclopropanecarbonyl(2-methoxyethyl)amino]methyl]-1,3-oxazole-4-carboxylate
SMILESCOCCN(Cc1nc(C(=O)OC)co1)C(=O)C1CC1
InChIInChI=1S/C13H18N2O5/c1-18-6-5-15(12(16)9-3-4-9)7-11-14-10(8-20-11)13(17)19-2/h8-9H,3-7H2,1-2H3
InChIKeyQQQPQVGSPHRGIS-UHFFFAOYSA-N
XLogP0.85
TPSA81.87 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 2-[[cyclopropanecarbonyl(2-methoxyethyl)amino]methyl]-1,3-oxazole-4-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

methyl 2-[[cyclobutanecarbonyl(pentyl)amino]methyl]-1,3-oxazole-4-carboxylate
CID 42766681
methyl 2-[[cyclobutanecarbonyl(propan-2-yl)amino]methyl]-1,3-oxazole-4-carboxylate
CID 810732
methyl 2-[[[3,5-bis(trifluoromethyl)benzoyl]-(2-methoxyethyl)amino]methyl]-1,3-oxazole-4-carboxylate
CID 3307425
methyl 2-[[butanoyl(propyl)amino]methyl]-1,3-oxazole-4-carboxylate
CID 3434185
methyl 2-[[[2-(4-chlorophenoxy)acetyl]-(2-methoxyethyl)amino]methyl]-1,3-oxazole-4-carboxylate
CID 3458352
methyl 2-[[(2,4-dimethoxybenzoyl)-(2-methoxyethyl)amino]methyl]-1,3-oxazole-4-carboxylate
CID 42766659
methyl 2-[[3-cyclopentylpropanoyl(3-methylbutyl)amino]methyl]-1,3-oxazole-4-carboxylate
CID 3610732
methyl 2-[[furan-2-carbonyl(3-methoxypropyl)amino]methyl]-1,3-oxazole-4-carboxylate
CID 5039854
methyl 2-[[(4-ethylbenzoyl)-(3-methoxypropyl)amino]methyl]-1,3-oxazole-4-carboxylate
CID 4538081
methyl 2-[[(2-ethoxyphenyl)carbamoyl-(2-methoxyethyl)amino]methyl]-1,3-oxazole-4-carboxylate
CID 4265422
methyl 2-[[3-methoxypropyl-[4-(trifluoromethyl)benzoyl]amino]methyl]-1,3-oxazole-4-carboxylate
CID 3876938
methyl 2-[[3-methoxypropyl(naphthalene-1-carbonyl)amino]methyl]-1,3-oxazole-4-carboxylate
CID 5041718

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[cyclopropanecarbonyl(2-methoxyethyl)amino]methyl]-1,3-oxazole-4-carboxylate?
The IUPAC name of methyl 2-[[cyclopropanecarbonyl(2-methoxyethyl)amino]methyl]-1,3-oxazole-4-carboxylate (CID 4539284) is methyl 2-[[cyclopropanecarbonyl(2-methoxyethyl)amino]methyl]-1,3-oxazole-4-carboxylate.
What is the SMILES notation for methyl 2-[[cyclopropanecarbonyl(2-methoxyethyl)amino]methyl]-1,3-oxazole-4-carboxylate?
The canonical SMILES for methyl 2-[[cyclopropanecarbonyl(2-methoxyethyl)amino]methyl]-1,3-oxazole-4-carboxylate is COCCN(Cc1nc(C(=O)OC)co1)C(=O)C1CC1.
What is the InChIKey of methyl 2-[[cyclopropanecarbonyl(2-methoxyethyl)amino]methyl]-1,3-oxazole-4-carboxylate?
The InChIKey is QQQPQVGSPHRGIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O5/c1-18-6-5-15(12(16)9-3-4-9)7-11-14-10(8-20-11)13(17)19-2/h8-9H,3-7H2,1-2H3.
What are the key properties of methyl 2-[[cyclopropanecarbonyl(2-methoxyethyl)amino]methyl]-1,3-oxazole-4-carboxylate?
methyl 2-[[cyclopropanecarbonyl(2-methoxyethyl)amino]methyl]-1,3-oxazole-4-carboxylate has a molecular weight of 282.30 g/mol, XLogP of 0.85, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[cyclopropanecarbonyl(2-methoxyethyl)amino]methyl]-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 4539284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).