[3-(methylcarbamoyl)-1,2-oxazol-5-yl]methyl acetate

C8H10N2O4 — CID 11769462

IUPAC[3-(methylcarbamoyl)-1,2-oxazol-5-yl]methyl acetate
SMILESCNC(=O)c1cc(COC(C)=O)on1
InChIInChI=1S/C8H10N2O4/c1-5(11)13-4-6-3-7(10-14-6)8(12)9-2/h3H,4H2,1-2H3,(H,9,12)
InChIKeyQFPNSEJDUQUEIT-UHFFFAOYSA-N
MW198.18 g/mol
LogP0.10
Rot. Bonds3

About [3-(methylcarbamoyl)-1,2-oxazol-5-yl]methyl acetate

[3-(methylcarbamoyl)-1,2-oxazol-5-yl]methyl acetate (PubChem CID 11769462) has the molecular formula C8H10N2O4 and a molecular weight of 198.18 g/mol. Its IUPAC name is [3-(methylcarbamoyl)-1,2-oxazol-5-yl]methyl acetate.

Molecular Properties

Compound Name[3-(methylcarbamoyl)-1,2-oxazol-5-yl]methyl acetate
PubChem CID11769462
Molecular FormulaC8H10N2O4
Molecular Weight198.18 g/mol
Exact Mass198.06
IUPAC Name[3-(methylcarbamoyl)-1,2-oxazol-5-yl]methyl acetate
SMILESCNC(=O)c1cc(COC(C)=O)on1
InChIInChI=1S/C8H10N2O4/c1-5(11)13-4-6-3-7(10-14-6)8(12)9-2/h3H,4H2,1-2H3,(H,9,12)
InChIKeyQFPNSEJDUQUEIT-UHFFFAOYSA-N
XLogP0.10
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(methylcarbamoyl)-1,2-oxazol-5-yl]methyl N-[2-[3-(dimethylamino)azetidin-3-yl]ethyl]carbamate
CID 66661175
N-methyl-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 59232393
methyl 2-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]propanoate
CID 66156389
5-(methoxymethyl)-N-(3-oxobutan-2-yl)-1,2-oxazole-3-carboxamide
CID 66157357
[3-(methylcarbamoyl)-1,2-oxazol-5-yl]methyl N-[2-(4-ethylpiperidin-4-yl)-2-methylpropyl]carbamate;hydrochloride
CID 140574102
N-[(2S)-1-aminopropan-2-yl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
CID 120505183
methyl 5-(methoxymethyl)-1,2-oxazole-3-carboxylate
CID 13371025
5-(prop-2-enoxymethyl)-1,2-oxazole-3-carbohydrazide
CID 63576126
5-(octoxymethyl)-1,2-oxazole-3-carbohydrazide
CID 63575530
5-[[methyl(propan-2-yl)amino]methyl]-1,2-oxazole-3-carbohydrazide
CID 63570255
2-ethyl-4-[2-methyl-2-[[3-(methylcarbamoyl)-1,2-oxazol-5-yl]methoxycarbonylamino]propyl]piperidine-1-carboxylic acid
CID 67366771
5-[(4-ethylphenoxy)methyl]-1,2-oxazole-3-carbohydrazide
CID 55214370

Frequently Asked Questions

What is the IUPAC name of [3-(methylcarbamoyl)-1,2-oxazol-5-yl]methyl acetate?
The IUPAC name of [3-(methylcarbamoyl)-1,2-oxazol-5-yl]methyl acetate (CID 11769462) is [3-(methylcarbamoyl)-1,2-oxazol-5-yl]methyl acetate.
What is the SMILES notation for [3-(methylcarbamoyl)-1,2-oxazol-5-yl]methyl acetate?
The canonical SMILES for [3-(methylcarbamoyl)-1,2-oxazol-5-yl]methyl acetate is CNC(=O)c1cc(COC(C)=O)on1.
What is the InChIKey of [3-(methylcarbamoyl)-1,2-oxazol-5-yl]methyl acetate?
The InChIKey is QFPNSEJDUQUEIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O4/c1-5(11)13-4-6-3-7(10-14-6)8(12)9-2/h3H,4H2,1-2H3,(H,9,12).
What are the key properties of [3-(methylcarbamoyl)-1,2-oxazol-5-yl]methyl acetate?
[3-(methylcarbamoyl)-1,2-oxazol-5-yl]methyl acetate has a molecular weight of 198.18 g/mol, XLogP of 0.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(methylcarbamoyl)-1,2-oxazol-5-yl]methyl acetate is sourced from PubChem (CID 11769462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).