methyl 2-[2-(methylamino)propyl]-1,3-oxazole-4-carboxylate

C9H14N2O3 — CID 105451384

IUPACmethyl 2-[2-(methylamino)propyl]-1,3-oxazole-4-carboxylate
SMILESCNC(C)Cc1nc(C(=O)OC)co1
InChIInChI=1S/C9H14N2O3/c1-6(10-2)4-8-11-7(5-14-8)9(12)13-3/h5-6,10H,4H2,1-3H3
InChIKeyRIFMYTNBGLLIFP-UHFFFAOYSA-N
MW198.22 g/mol
LogP0.61
Rot. Bonds4

About methyl 2-[2-(methylamino)propyl]-1,3-oxazole-4-carboxylate

methyl 2-[2-(methylamino)propyl]-1,3-oxazole-4-carboxylate (PubChem CID 105451384) has the molecular formula C9H14N2O3 and a molecular weight of 198.22 g/mol. Its IUPAC name is methyl 2-[2-(methylamino)propyl]-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-[2-(methylamino)propyl]-1,3-oxazole-4-carboxylate
PubChem CID105451384
Molecular FormulaC9H14N2O3
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC Namemethyl 2-[2-(methylamino)propyl]-1,3-oxazole-4-carboxylate
SMILESCNC(C)Cc1nc(C(=O)OC)co1
InChIInChI=1S/C9H14N2O3/c1-6(10-2)4-8-11-7(5-14-8)9(12)13-3/h5-6,10H,4H2,1-3H3
InChIKeyRIFMYTNBGLLIFP-UHFFFAOYSA-N
XLogP0.61
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(sulfanylmethyl)-1,3-oxazole-4-carboxylate
CID 165481835
ethane;methyl 2-benzyl-1,3-oxazole-4-carboxylate
CID 91273560
methyl 2-[[3-methylbutanoyl(propan-2-yl)amino]methyl]-1,3-oxazole-4-carboxylate
CID 810736
methyl 2-(methylsulfonylmethyl)-1,3-oxazole-4-carboxylate
CID 122673312
methyl 2-[(tert-butylamino)methyl]-1,3-oxazole-4-carboxylate
CID 42656277
methyl 2-(1-chloroethyl)-1,3-oxazole-4-carboxylate
CID 131529915
methyl 2-[[3-methylbutyl(methylsulfonyl)amino]methyl]-1,3-oxazole-4-carboxylate
CID 42766958
methyl 2-(pyrrolidin-2-ylmethyl)-1,3-oxazole-4-carboxylate
CID 105463941
methyl 2-[[cyclobutanecarbonyl(propan-2-yl)amino]methyl]-1,3-oxazole-4-carboxylate
CID 810732
methyl 2-[[hexanoyl(propan-2-yl)amino]methyl]-1,3-oxazole-4-carboxylate
CID 3417684
methyl 2-(1-amino-2-methylpropyl)-1,3-oxazole-4-carboxylate
CID 85299406
methyl 2-(1-bromo-2-methylpropyl)-1,3-oxazole-4-carboxylate
CID 10515587

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(methylamino)propyl]-1,3-oxazole-4-carboxylate?
The IUPAC name of methyl 2-[2-(methylamino)propyl]-1,3-oxazole-4-carboxylate (CID 105451384) is methyl 2-[2-(methylamino)propyl]-1,3-oxazole-4-carboxylate.
What is the SMILES notation for methyl 2-[2-(methylamino)propyl]-1,3-oxazole-4-carboxylate?
The canonical SMILES for methyl 2-[2-(methylamino)propyl]-1,3-oxazole-4-carboxylate is CNC(C)Cc1nc(C(=O)OC)co1.
What is the InChIKey of methyl 2-[2-(methylamino)propyl]-1,3-oxazole-4-carboxylate?
The InChIKey is RIFMYTNBGLLIFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3/c1-6(10-2)4-8-11-7(5-14-8)9(12)13-3/h5-6,10H,4H2,1-3H3.
What are the key properties of methyl 2-[2-(methylamino)propyl]-1,3-oxazole-4-carboxylate?
methyl 2-[2-(methylamino)propyl]-1,3-oxazole-4-carboxylate has a molecular weight of 198.22 g/mol, XLogP of 0.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(methylamino)propyl]-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 105451384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).