methyl 2-[(1S)-1-acetamidoethyl]-1,3-oxazole-4-carboxylate

C9H12N2O4 — CID 70848419

IUPACmethyl 2-[(1S)-1-acetamidoethyl]-1,3-oxazole-4-carboxylate
SMILESCOC(=O)c1coc([C@H](C)NC(C)=O)n1
InChIInChI=1S/C9H12N2O4/c1-5(10-6(2)12)8-11-7(4-15-8)9(13)14-3/h4-5H,1-3H3,(H,10,12)/t5-/m0/s1
InChIKeyYKJJQEJZHDUDPR-YFKPBYRVSA-N
MW212.20 g/mol
LogP0.66
Rot. Bonds3

About methyl 2-[(1S)-1-acetamidoethyl]-1,3-oxazole-4-carboxylate

methyl 2-[(1S)-1-acetamidoethyl]-1,3-oxazole-4-carboxylate (PubChem CID 70848419) has the molecular formula C9H12N2O4 and a molecular weight of 212.20 g/mol. Its IUPAC name is methyl 2-[(1S)-1-acetamidoethyl]-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(1S)-1-acetamidoethyl]-1,3-oxazole-4-carboxylate
PubChem CID70848419
Molecular FormulaC9H12N2O4
Molecular Weight212.20 g/mol
Exact Mass212.08
IUPAC Namemethyl 2-[(1S)-1-acetamidoethyl]-1,3-oxazole-4-carboxylate
SMILESCOC(=O)c1coc([C@H](C)NC(C)=O)n1
InChIInChI=1S/C9H12N2O4/c1-5(10-6(2)12)8-11-7(4-15-8)9(13)14-3/h4-5H,1-3H3,(H,10,12)/t5-/m0/s1
InChIKeyYKJJQEJZHDUDPR-YFKPBYRVSA-N
XLogP0.66
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 2-methyl-1,3-oxazole-4-carboxylate
CID 10402496
2-[1-(Tert-butoxycarbonylamino)ethyl]oxazole-4-carboxylic acid
CID 485054
2-({[(Tert-butoxy)carbonyl]amino}methyl)-1,3-oxazole-4-carboxylic acid
CID 11356912
Ethyl 2-ethyl-1,3-oxazole-4-carboxylate
CID 53255326
2-(2-{[(Tert-butoxy)carbonyl]amino}ethyl)-1,3-oxazole-4-carboxylic acid
CID 83814429
Methyl 2-(azidomethyl)-1,3-oxazole-4-carboxylate
CID 121553352
Methyl 2-(azetidin-3-yl)-1,3-oxazole-4-carboxylate hydrochloride
CID 129052618
Methyl 2-((tert-butoxycarbonylamino)methyl)oxazole-4-carboxylate
CID 11065028
Methyl 2-(aminomethyl)-1,3-oxazole-4-carboxylate hydrochloride
CID 122156670
(S)-methyl 2-(2-hydroxy-1-(tetrahydro-2H-pyran-4-ylamino)ethyl)oxazole-4-carboxylate
CID 77059052
methyl 2-[(1R)-1-(2,2-dimethylpropanoylamino)-2-hydroxyethyl]-1,3-oxazole-4-carboxylate
CID 133548284
Methyl 2-[(2-methyl-1,3-oxazole-4-carbonyl)amino]prop-2-enoate
CID 10632235

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1S)-1-acetamidoethyl]-1,3-oxazole-4-carboxylate?
The IUPAC name of methyl 2-[(1S)-1-acetamidoethyl]-1,3-oxazole-4-carboxylate (CID 70848419) is methyl 2-[(1S)-1-acetamidoethyl]-1,3-oxazole-4-carboxylate.
What is the SMILES notation for methyl 2-[(1S)-1-acetamidoethyl]-1,3-oxazole-4-carboxylate?
The canonical SMILES for methyl 2-[(1S)-1-acetamidoethyl]-1,3-oxazole-4-carboxylate is COC(=O)c1coc([C@H](C)NC(C)=O)n1.
What is the InChIKey of methyl 2-[(1S)-1-acetamidoethyl]-1,3-oxazole-4-carboxylate?
The InChIKey is YKJJQEJZHDUDPR-YFKPBYRVSA-N. The full InChI is InChI=1S/C9H12N2O4/c1-5(10-6(2)12)8-11-7(4-15-8)9(13)14-3/h4-5H,1-3H3,(H,10,12)/t5-/m0/s1.
What are the key properties of methyl 2-[(1S)-1-acetamidoethyl]-1,3-oxazole-4-carboxylate?
methyl 2-[(1S)-1-acetamidoethyl]-1,3-oxazole-4-carboxylate has a molecular weight of 212.20 g/mol, XLogP of 0.66, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1S)-1-acetamidoethyl]-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 70848419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).