methyl 2-[[3-methylbutanoyl(propan-2-yl)amino]methyl]-1,3-oxazole-4-carboxylate

C14H22N2O4 — CID 810736

IUPACmethyl 2-[[3-methylbutanoyl(propan-2-yl)amino]methyl]-1,3-oxazole-4-carboxylate
SMILESCOC(=O)c1coc(CN(C(=O)CC(C)C)C(C)C)n1
InChIInChI=1S/C14H22N2O4/c1-9(2)6-13(17)16(10(3)4)7-12-15-11(8-20-12)14(18)19-5/h8-10H,6-7H2,1-5H3
InChIKeyLOVACVWHSCYBPB-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.24
Rot. Bonds6

About methyl 2-[[3-methylbutanoyl(propan-2-yl)amino]methyl]-1,3-oxazole-4-carboxylate

methyl 2-[[3-methylbutanoyl(propan-2-yl)amino]methyl]-1,3-oxazole-4-carboxylate (PubChem CID 810736) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is methyl 2-[[3-methylbutanoyl(propan-2-yl)amino]methyl]-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[3-methylbutanoyl(propan-2-yl)amino]methyl]-1,3-oxazole-4-carboxylate
PubChem CID810736
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Namemethyl 2-[[3-methylbutanoyl(propan-2-yl)amino]methyl]-1,3-oxazole-4-carboxylate
SMILESCOC(=O)c1coc(CN(C(=O)CC(C)C)C(C)C)n1
InChIInChI=1S/C14H22N2O4/c1-9(2)6-13(17)16(10(3)4)7-12-15-11(8-20-12)14(18)19-5/h8-10H,6-7H2,1-5H3
InChIKeyLOVACVWHSCYBPB-UHFFFAOYSA-N
XLogP2.24
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[3-methylbutanoyl(propan-2-yl)amino]methyl]-N-propan-2-yl-1,3-oxazole-4-carboxamide
CID 810576
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
methyl 2-[[(2-bromobenzoyl)-propan-2-ylamino]methyl]-1,3-oxazole-4-carboxylate
CID 1197406
methyl 2-[[(2,3-dimethylphenyl)carbamoyl-propan-2-ylamino]methyl]-1,3-oxazole-4-carboxylate
CID 810996
methyl 2-[[3-methylbutyl(methylsulfonyl)amino]methyl]-1,3-oxazole-4-carboxylate
CID 42766958
N-[(2R)-butan-2-yl]-2-[[[(2R)-butan-2-yl]-(3-methylbutanoyl)amino]methyl]-1,3-oxazole-4-carboxamide
CID 7399785
N-propan-2-yl-2-[[propan-2-yl-[(3S)-3,5,5-trimethylhexanoyl]amino]methyl]-1,3-oxazole-4-carboxamide
CID 7373871
methyl 2-[2-(methylamino)propyl]-1,3-oxazole-4-carboxylate
CID 105451384
methyl 2-(sulfanylmethyl)-1,3-oxazole-4-carboxylate
CID 165481835
methyl 2-[[butanoyl(propyl)amino]methyl]-1,3-oxazole-4-carboxylate
CID 3434185
ethyl 4-oxo-4-[propan-2-yl-[[4-(propan-2-ylcarbamoyl)-1,3-oxazol-2-yl]methyl]amino]butanoate
CID 4214606

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[3-methylbutanoyl(propan-2-yl)amino]methyl]-1,3-oxazole-4-carboxylate?
The IUPAC name of methyl 2-[[3-methylbutanoyl(propan-2-yl)amino]methyl]-1,3-oxazole-4-carboxylate (CID 810736) is methyl 2-[[3-methylbutanoyl(propan-2-yl)amino]methyl]-1,3-oxazole-4-carboxylate.
What is the SMILES notation for methyl 2-[[3-methylbutanoyl(propan-2-yl)amino]methyl]-1,3-oxazole-4-carboxylate?
The canonical SMILES for methyl 2-[[3-methylbutanoyl(propan-2-yl)amino]methyl]-1,3-oxazole-4-carboxylate is COC(=O)c1coc(CN(C(=O)CC(C)C)C(C)C)n1.
What is the InChIKey of methyl 2-[[3-methylbutanoyl(propan-2-yl)amino]methyl]-1,3-oxazole-4-carboxylate?
The InChIKey is LOVACVWHSCYBPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4/c1-9(2)6-13(17)16(10(3)4)7-12-15-11(8-20-12)14(18)19-5/h8-10H,6-7H2,1-5H3.
What are the key properties of methyl 2-[[3-methylbutanoyl(propan-2-yl)amino]methyl]-1,3-oxazole-4-carboxylate?
methyl 2-[[3-methylbutanoyl(propan-2-yl)amino]methyl]-1,3-oxazole-4-carboxylate has a molecular weight of 282.34 g/mol, XLogP of 2.24, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[3-methylbutanoyl(propan-2-yl)amino]methyl]-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 810736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).