methyl N-[2-methyl-1-(5-oxo-4H-1,2,4-oxadiazol-3-yl)propyl]carbamate

C8H13N3O4 — CID 137222898

IUPACmethyl N-[2-methyl-1-(5-oxo-4H-1,2,4-oxadiazol-3-yl)propyl]carbamate
SMILESCOC(=O)NC(c1noc(=O)[nH]1)C(C)C
InChIInChI=1S/C8H13N3O4/c1-4(2)5(9-7(12)14-3)6-10-8(13)15-11-6/h4-5H,1-3H3,(H,9,12)(H,10,11,13)
InChIKeyNRRDZXXFGHZHFS-UHFFFAOYSA-N
MW215.21 g/mol
LogP0.42
Rot. Bonds3

About methyl N-[2-methyl-1-(5-oxo-4H-1,2,4-oxadiazol-3-yl)propyl]carbamate

methyl N-[2-methyl-1-(5-oxo-4H-1,2,4-oxadiazol-3-yl)propyl]carbamate (PubChem CID 137222898) has the molecular formula C8H13N3O4 and a molecular weight of 215.21 g/mol. Its IUPAC name is methyl N-[2-methyl-1-(5-oxo-4H-1,2,4-oxadiazol-3-yl)propyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-methyl-1-(5-oxo-4H-1,2,4-oxadiazol-3-yl)propyl]carbamate
PubChem CID137222898
Molecular FormulaC8H13N3O4
Molecular Weight215.21 g/mol
Exact Mass215.09
IUPAC Namemethyl N-[2-methyl-1-(5-oxo-4H-1,2,4-oxadiazol-3-yl)propyl]carbamate
SMILESCOC(=O)NC(c1noc(=O)[nH]1)C(C)C
InChIInChI=1S/C8H13N3O4/c1-4(2)5(9-7(12)14-3)6-10-8(13)15-11-6/h4-5H,1-3H3,(H,9,12)(H,10,11,13)
InChIKeyNRRDZXXFGHZHFS-UHFFFAOYSA-N
XLogP0.42
TPSA97.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.21
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl N-[2-methyl-1-(5-oxo-4H-1,2,4-oxadiazol-3-yl)propyl]carbamate?
The IUPAC name of methyl N-[2-methyl-1-(5-oxo-4H-1,2,4-oxadiazol-3-yl)propyl]carbamate (CID 137222898) is methyl N-[2-methyl-1-(5-oxo-4H-1,2,4-oxadiazol-3-yl)propyl]carbamate.
What is the SMILES notation for methyl N-[2-methyl-1-(5-oxo-4H-1,2,4-oxadiazol-3-yl)propyl]carbamate?
The canonical SMILES for methyl N-[2-methyl-1-(5-oxo-4H-1,2,4-oxadiazol-3-yl)propyl]carbamate is COC(=O)NC(c1noc(=O)[nH]1)C(C)C.
What is the InChIKey of methyl N-[2-methyl-1-(5-oxo-4H-1,2,4-oxadiazol-3-yl)propyl]carbamate?
The InChIKey is NRRDZXXFGHZHFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O4/c1-4(2)5(9-7(12)14-3)6-10-8(13)15-11-6/h4-5H,1-3H3,(H,9,12)(H,10,11,13).
What are the key properties of methyl N-[2-methyl-1-(5-oxo-4H-1,2,4-oxadiazol-3-yl)propyl]carbamate?
methyl N-[2-methyl-1-(5-oxo-4H-1,2,4-oxadiazol-3-yl)propyl]carbamate has a molecular weight of 215.21 g/mol, XLogP of 0.42, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-methyl-1-(5-oxo-4H-1,2,4-oxadiazol-3-yl)propyl]carbamate is sourced from PubChem (CID 137222898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).