ethyl 2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-1,3-oxazole-4-carboxylate

C10H16N2O6 — CID 114008821

IUPACethyl 2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1coc(NC(CO)(CO)CO)n1
InChIInChI=1S/C10H16N2O6/c1-2-17-8(16)7-3-18-9(11-7)12-10(4-13,5-14)6-15/h3,13-15H,2,4-6H2,1H3,(H,11,12)
InChIKeyMMKQPJRTEDAFEO-UHFFFAOYSA-N
MW260.25 g/mol
LogP-1.02
Rot. Bonds7

About ethyl 2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-1,3-oxazole-4-carboxylate

ethyl 2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-1,3-oxazole-4-carboxylate (PubChem CID 114008821) has the molecular formula C10H16N2O6 and a molecular weight of 260.25 g/mol. Its IUPAC name is ethyl 2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-1,3-oxazole-4-carboxylate
PubChem CID114008821
Molecular FormulaC10H16N2O6
Molecular Weight260.25 g/mol
Exact Mass260.10
IUPAC Nameethyl 2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1coc(NC(CO)(CO)CO)n1
InChIInChI=1S/C10H16N2O6/c1-2-17-8(16)7-3-18-9(11-7)12-10(4-13,5-14)6-15/h3,13-15H,2,4-6H2,1H3,(H,11,12)
InChIKeyMMKQPJRTEDAFEO-UHFFFAOYSA-N
XLogP-1.02
TPSA125.05 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 5-1.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

ethyl 2-(3,3-dimethylbutan-2-ylamino)-1,3-oxazole-4-carboxylate
CID 104828592
ethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-oxazole-4-carboxylate
CID 53404549
ethyl 2-[(2-methyl-2-methylsulfonylpropyl)amino]-1,3-oxazole-4-carboxylate
CID 113377340
ethyl 2-(3-methylbut-2-enylamino)-1,3-oxazole-4-carboxylate
CID 106189842
ethyl 2-[(2-hydroxy-4,4-dimethylpentyl)amino]-1,3-oxazole-4-carboxylate
CID 107153189
ethyl 2-[[(1S,2S)-2-hydroxycyclooctyl]amino]-1,3-oxazole-4-carboxylate
CID 146044572
ethyl 2-[(4-tert-butylphenyl)sulfonylamino]-1,3-oxazole-4-carboxylate
CID 84563734
ethyl 2-(4-fluoroanilino)-1,3-oxazole-4-carboxylate
CID 113377091
ethyl 2-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]-1,3-oxazole-4-carboxylate
CID 104530110
ethyl 2-(2,3,5,6-tetrafluoroanilino)-1,3-oxazole-4-carboxylate
CID 107645105
ethyl 2-(furan-2-ylmethylamino)-1,3-oxazole-4-carboxylate
CID 113377062
ethyl 2-(2-butoxyethylamino)-1,3-oxazole-4-carboxylate
CID 113377237

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-1,3-oxazole-4-carboxylate?
The IUPAC name of ethyl 2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-1,3-oxazole-4-carboxylate (CID 114008821) is ethyl 2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-1,3-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-1,3-oxazole-4-carboxylate?
The canonical SMILES for ethyl 2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-1,3-oxazole-4-carboxylate is CCOC(=O)c1coc(NC(CO)(CO)CO)n1.
What is the InChIKey of ethyl 2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-1,3-oxazole-4-carboxylate?
The InChIKey is MMKQPJRTEDAFEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O6/c1-2-17-8(16)7-3-18-9(11-7)12-10(4-13,5-14)6-15/h3,13-15H,2,4-6H2,1H3,(H,11,12).
What are the key properties of ethyl 2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-1,3-oxazole-4-carboxylate?
ethyl 2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-1,3-oxazole-4-carboxylate has a molecular weight of 260.25 g/mol, XLogP of -1.02, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 114008821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).