[3-(methylcarbamoyl)-1,2-oxazol-5-yl]methyl N-methyl-N-pyrrolidin-3-ylcarbamate;hydrochloride

C12H19ClN4O4 — CID 66660848

IUPAC[3-(methylcarbamoyl)-1,2-oxazol-5-yl]methyl N-methyl-N-pyrrolidin-3-ylcarbamate;hydrochloride
SMILESCNC(=O)c1cc(COC(=O)N(C)C2CCNC2)on1.Cl
InChIInChI=1S/C12H18N4O4.ClH/c1-13-11(17)10-5-9(20-15-10)7-19-12(18)16(2)8-3-4-14-6-8;/h5,8,14H,3-4,6-7H2,1-2H3,(H,13,17);1H
InChIKeyBKERBWQCZVXUTN-UHFFFAOYSA-N
MW318.76 g/mol
LogP0.39
Rot. Bonds4

About [3-(methylcarbamoyl)-1,2-oxazol-5-yl]methyl N-methyl-N-pyrrolidin-3-ylcarbamate;hydrochloride

[3-(methylcarbamoyl)-1,2-oxazol-5-yl]methyl N-methyl-N-pyrrolidin-3-ylcarbamate;hydrochloride (PubChem CID 66660848) has the molecular formula C12H19ClN4O4 and a molecular weight of 318.76 g/mol. Its IUPAC name is [3-(methylcarbamoyl)-1,2-oxazol-5-yl]methyl N-methyl-N-pyrrolidin-3-ylcarbamate;hydrochloride.

Molecular Properties

Compound Name[3-(methylcarbamoyl)-1,2-oxazol-5-yl]methyl N-methyl-N-pyrrolidin-3-ylcarbamate;hydrochloride
PubChem CID66660848
Molecular FormulaC12H19ClN4O4
Molecular Weight318.76 g/mol
Exact Mass318.11
IUPAC Name[3-(methylcarbamoyl)-1,2-oxazol-5-yl]methyl N-methyl-N-pyrrolidin-3-ylcarbamate;hydrochloride
SMILESCNC(=O)c1cc(COC(=O)N(C)C2CCNC2)on1.Cl
InChIInChI=1S/C12H18N4O4.ClH/c1-13-11(17)10-5-9(20-15-10)7-19-12(18)16(2)8-3-4-14-6-8;/h5,8,14H,3-4,6-7H2,1-2H3,(H,13,17);1H
InChIKeyBKERBWQCZVXUTN-UHFFFAOYSA-N
XLogP0.39
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.76
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-(methylcarbamoyl)-1,2-oxazol-5-yl]methyl N-methyl-N-pyrrolidin-3-ylcarbamate;hydrochloride?
The IUPAC name of [3-(methylcarbamoyl)-1,2-oxazol-5-yl]methyl N-methyl-N-pyrrolidin-3-ylcarbamate;hydrochloride (CID 66660848) is [3-(methylcarbamoyl)-1,2-oxazol-5-yl]methyl N-methyl-N-pyrrolidin-3-ylcarbamate;hydrochloride.
What is the SMILES notation for [3-(methylcarbamoyl)-1,2-oxazol-5-yl]methyl N-methyl-N-pyrrolidin-3-ylcarbamate;hydrochloride?
The canonical SMILES for [3-(methylcarbamoyl)-1,2-oxazol-5-yl]methyl N-methyl-N-pyrrolidin-3-ylcarbamate;hydrochloride is CNC(=O)c1cc(COC(=O)N(C)C2CCNC2)on1.Cl.
What is the InChIKey of [3-(methylcarbamoyl)-1,2-oxazol-5-yl]methyl N-methyl-N-pyrrolidin-3-ylcarbamate;hydrochloride?
The InChIKey is BKERBWQCZVXUTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O4.ClH/c1-13-11(17)10-5-9(20-15-10)7-19-12(18)16(2)8-3-4-14-6-8;/h5,8,14H,3-4,6-7H2,1-2H3,(H,13,17);1H.
What are the key properties of [3-(methylcarbamoyl)-1,2-oxazol-5-yl]methyl N-methyl-N-pyrrolidin-3-ylcarbamate;hydrochloride?
[3-(methylcarbamoyl)-1,2-oxazol-5-yl]methyl N-methyl-N-pyrrolidin-3-ylcarbamate;hydrochloride has a molecular weight of 318.76 g/mol, XLogP of 0.39, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(methylcarbamoyl)-1,2-oxazol-5-yl]methyl N-methyl-N-pyrrolidin-3-ylcarbamate;hydrochloride is sourced from PubChem (CID 66660848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).