1-(4-ethoxycarbonyl-1,3-oxazol-5-yl)ethylcarbamic acid

C9H12N2O5 — CID 46839934

IUPAC1-(4-ethoxycarbonyl-1,3-oxazol-5-yl)ethylcarbamic acid
SMILESCCOC(=O)c1ncoc1C(C)NC(=O)O
InChIInChI=1S/C9H12N2O5/c1-3-15-8(12)6-7(16-4-10-6)5(2)11-9(13)14/h4-5,11H,3H2,1-2H3,(H,13,14)
InChIKeySJESMDOTLFXYEM-UHFFFAOYSA-N
MW228.20 g/mol
LogP1.18
Rot. Bonds4

About 1-(4-ethoxycarbonyl-1,3-oxazol-5-yl)ethylcarbamic acid

1-(4-ethoxycarbonyl-1,3-oxazol-5-yl)ethylcarbamic acid (PubChem CID 46839934) has the molecular formula C9H12N2O5 and a molecular weight of 228.20 g/mol. Its IUPAC name is 1-(4-ethoxycarbonyl-1,3-oxazol-5-yl)ethylcarbamic acid.

Molecular Properties

Compound Name1-(4-ethoxycarbonyl-1,3-oxazol-5-yl)ethylcarbamic acid
PubChem CID46839934
Molecular FormulaC9H12N2O5
Molecular Weight228.20 g/mol
Exact Mass228.07
IUPAC Name1-(4-ethoxycarbonyl-1,3-oxazol-5-yl)ethylcarbamic acid
SMILESCCOC(=O)c1ncoc1C(C)NC(=O)O
InChIInChI=1S/C9H12N2O5/c1-3-15-8(12)6-7(16-4-10-6)5(2)11-9(13)14/h4-5,11H,3H2,1-2H3,(H,13,14)
InChIKeySJESMDOTLFXYEM-UHFFFAOYSA-N
XLogP1.18
TPSA101.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.20
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 5-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-oxazole-4-carboxylate
CID 4712684
ethyl 5-[(1R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-oxazole-4-carboxylate
CID 52911130
ethyl 5-[methoxy(phenyl)methyl]-1,3-oxazole-4-carboxylate
CID 55037618
benzyl 5-propan-2-yl-1,3-oxazole-4-carboxylate
CID 170414122
ethyl 5-pyrimidin-2-yl-1,3-oxazole-4-carboxylate
CID 168859081
ethyl 5-(4-phenylphenyl)-1,3-oxazole-4-carboxylate
CID 100802140
5-[(1S)-1-aminobutyl]-1,3-oxazole-4-carboxylic acid
CID 165440729
ethyl 5-(2,3,4-trifluorophenyl)-1,3-oxazole-4-carboxylate
CID 79755764
ethyl 5-(1-methylpyrazol-3-yl)-1,3-oxazole-4-carboxylate
CID 10846618
ethyl 5-(2,4,5-trimethyloxolan-3-yl)-1,3-oxazole-4-carboxylate
CID 65159628
ethyl 5-[4-(2-hydroxyethyl)phenyl]-1,3-oxazole-4-carboxylate
CID 170887366
ethyl 5-(2-methylcyclopentyl)-1,3-oxazole-4-carboxylate
CID 107183118

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxycarbonyl-1,3-oxazol-5-yl)ethylcarbamic acid?
The IUPAC name of 1-(4-ethoxycarbonyl-1,3-oxazol-5-yl)ethylcarbamic acid (CID 46839934) is 1-(4-ethoxycarbonyl-1,3-oxazol-5-yl)ethylcarbamic acid.
What is the SMILES notation for 1-(4-ethoxycarbonyl-1,3-oxazol-5-yl)ethylcarbamic acid?
The canonical SMILES for 1-(4-ethoxycarbonyl-1,3-oxazol-5-yl)ethylcarbamic acid is CCOC(=O)c1ncoc1C(C)NC(=O)O.
What is the InChIKey of 1-(4-ethoxycarbonyl-1,3-oxazol-5-yl)ethylcarbamic acid?
The InChIKey is SJESMDOTLFXYEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O5/c1-3-15-8(12)6-7(16-4-10-6)5(2)11-9(13)14/h4-5,11H,3H2,1-2H3,(H,13,14).
What are the key properties of 1-(4-ethoxycarbonyl-1,3-oxazol-5-yl)ethylcarbamic acid?
1-(4-ethoxycarbonyl-1,3-oxazol-5-yl)ethylcarbamic acid has a molecular weight of 228.20 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxycarbonyl-1,3-oxazol-5-yl)ethylcarbamic acid is sourced from PubChem (CID 46839934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).