methyl 2-[[(2,3-dimethylphenyl)carbamoyl-propan-2-ylamino]methyl]-1,3-oxazole-4-carboxylate

C18H23N3O4 — CID 810996

IUPACmethyl 2-[[(2,3-dimethylphenyl)carbamoyl-propan-2-ylamino]methyl]-1,3-oxazole-4-carboxylate
SMILESCOC(=O)c1coc(CN(C(=O)Nc2cccc(C)c2C)C(C)C)n1
InChIInChI=1S/C18H23N3O4/c1-11(2)21(9-16-19-15(10-25-16)17(22)24-5)18(23)20-14-8-6-7-12(3)13(14)4/h6-8,10-11H,9H2,1-5H3,(H,20,23)
InChIKeyAAUQGVVNWHFCMG-UHFFFAOYSA-N
MW345.40 g/mol
LogP3.52
Rot. Bonds5

About methyl 2-[[(2,3-dimethylphenyl)carbamoyl-propan-2-ylamino]methyl]-1,3-oxazole-4-carboxylate

methyl 2-[[(2,3-dimethylphenyl)carbamoyl-propan-2-ylamino]methyl]-1,3-oxazole-4-carboxylate (PubChem CID 810996) has the molecular formula C18H23N3O4 and a molecular weight of 345.40 g/mol. Its IUPAC name is methyl 2-[[(2,3-dimethylphenyl)carbamoyl-propan-2-ylamino]methyl]-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[(2,3-dimethylphenyl)carbamoyl-propan-2-ylamino]methyl]-1,3-oxazole-4-carboxylate
PubChem CID810996
Molecular FormulaC18H23N3O4
Molecular Weight345.40 g/mol
Exact Mass345.17
IUPAC Namemethyl 2-[[(2,3-dimethylphenyl)carbamoyl-propan-2-ylamino]methyl]-1,3-oxazole-4-carboxylate
SMILESCOC(=O)c1coc(CN(C(=O)Nc2cccc(C)c2C)C(C)C)n1
InChIInChI=1S/C18H23N3O4/c1-11(2)21(9-16-19-15(10-25-16)17(22)24-5)18(23)20-14-8-6-7-12(3)13(14)4/h6-8,10-11H,9H2,1-5H3,(H,20,23)
InChIKeyAAUQGVVNWHFCMG-UHFFFAOYSA-N
XLogP3.52
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-[[(2,3-dimethylphenyl)carbamoyl-propan-2-ylamino]methyl]-1,3-oxazole-4-carboxylate with MolForge

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Related Compounds

methyl 2-[[tert-butyl-[(2-methylphenyl)carbamoyl]amino]methyl]-1,3-oxazole-4-carboxylate
CID 811004
methyl 2-[[3-methylbutanoyl(propan-2-yl)amino]methyl]-1,3-oxazole-4-carboxylate
CID 810736
methyl 2-[[(2-bromobenzoyl)-propan-2-ylamino]methyl]-1,3-oxazole-4-carboxylate
CID 1197406
methyl 2-[[tert-butyl-[(2-fluorophenyl)carbamoyl]amino]methyl]-1,3-oxazole-4-carboxylate
CID 811002
methyl 2-[[hexanoyl(propan-2-yl)amino]methyl]-1,3-oxazole-4-carboxylate
CID 3417684
methyl 2-[[cyclobutanecarbonyl(propan-2-yl)amino]methyl]-1,3-oxazole-4-carboxylate
CID 810732
N-cyclopropyl-2-[[cyclopropyl-[(2,3-dimethylphenyl)carbamoyl]amino]methyl]-1,3-oxazole-4-carboxamide
CID 7415529
methyl 2-[[(2,6-dimethylphenyl)carbamoyl-(3-ethoxypropyl)amino]methyl]-1,3-oxazole-4-carboxylate
CID 4672610
methyl 2-[[cyclopropyl-[(2-ethoxyphenyl)carbamoyl]amino]methyl]-1,3-oxazole-4-carboxylate
CID 1196367
methyl 2-[[(2-ethoxyphenyl)carbamoyl-(2-methoxyethyl)amino]methyl]-1,3-oxazole-4-carboxylate
CID 4265422
4-[(2,3-dimethylphenyl)carbamoyl-propan-2-ylamino]butanoic acid
CID 61200589
methyl 2-[[3-methylbutyl(methylsulfonyl)amino]methyl]-1,3-oxazole-4-carboxylate
CID 42766958

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[(2,3-dimethylphenyl)carbamoyl-propan-2-ylamino]methyl]-1,3-oxazole-4-carboxylate?
The IUPAC name of methyl 2-[[(2,3-dimethylphenyl)carbamoyl-propan-2-ylamino]methyl]-1,3-oxazole-4-carboxylate (CID 810996) is methyl 2-[[(2,3-dimethylphenyl)carbamoyl-propan-2-ylamino]methyl]-1,3-oxazole-4-carboxylate.
What is the SMILES notation for methyl 2-[[(2,3-dimethylphenyl)carbamoyl-propan-2-ylamino]methyl]-1,3-oxazole-4-carboxylate?
The canonical SMILES for methyl 2-[[(2,3-dimethylphenyl)carbamoyl-propan-2-ylamino]methyl]-1,3-oxazole-4-carboxylate is COC(=O)c1coc(CN(C(=O)Nc2cccc(C)c2C)C(C)C)n1.
What is the InChIKey of methyl 2-[[(2,3-dimethylphenyl)carbamoyl-propan-2-ylamino]methyl]-1,3-oxazole-4-carboxylate?
The InChIKey is AAUQGVVNWHFCMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4/c1-11(2)21(9-16-19-15(10-25-16)17(22)24-5)18(23)20-14-8-6-7-12(3)13(14)4/h6-8,10-11H,9H2,1-5H3,(H,20,23).
What are the key properties of methyl 2-[[(2,3-dimethylphenyl)carbamoyl-propan-2-ylamino]methyl]-1,3-oxazole-4-carboxylate?
methyl 2-[[(2,3-dimethylphenyl)carbamoyl-propan-2-ylamino]methyl]-1,3-oxazole-4-carboxylate has a molecular weight of 345.40 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[(2,3-dimethylphenyl)carbamoyl-propan-2-ylamino]methyl]-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 810996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).