methyl N-[2-(1,3-oxazolidin-3-yl)-2-oxoethyl]carbamate

C7H12N2O4 — CID 121420123

IUPACmethyl N-[2-(1,3-oxazolidin-3-yl)-2-oxoethyl]carbamate
SMILESCOC(=O)NCC(=O)N1CCOC1
InChIInChI=1S/C7H12N2O4/c1-12-7(11)8-4-6(10)9-2-3-13-5-9/h2-5H2,1H3,(H,8,11)
InChIKeyKZZOMZGPWCMAQS-UHFFFAOYSA-N
MW188.18 g/mol
LogP-0.84
Rot. Bonds2

About methyl N-[2-(1,3-oxazolidin-3-yl)-2-oxoethyl]carbamate

methyl N-[2-(1,3-oxazolidin-3-yl)-2-oxoethyl]carbamate (PubChem CID 121420123) has the molecular formula C7H12N2O4 and a molecular weight of 188.18 g/mol. Its IUPAC name is methyl N-[2-(1,3-oxazolidin-3-yl)-2-oxoethyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-(1,3-oxazolidin-3-yl)-2-oxoethyl]carbamate
PubChem CID121420123
Molecular FormulaC7H12N2O4
Molecular Weight188.18 g/mol
Exact Mass188.08
IUPAC Namemethyl N-[2-(1,3-oxazolidin-3-yl)-2-oxoethyl]carbamate
SMILESCOC(=O)NCC(=O)N1CCOC1
InChIInChI=1S/C7H12N2O4/c1-12-7(11)8-4-6(10)9-2-3-13-5-9/h2-5H2,1H3,(H,8,11)
InChIKeyKZZOMZGPWCMAQS-UHFFFAOYSA-N
XLogP-0.84
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.18
LogP ≤ 5-0.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl N-[2-(1,3-oxazolidin-3-yl)-2-oxoethyl]carbamate?
The IUPAC name of methyl N-[2-(1,3-oxazolidin-3-yl)-2-oxoethyl]carbamate (CID 121420123) is methyl N-[2-(1,3-oxazolidin-3-yl)-2-oxoethyl]carbamate.
What is the SMILES notation for methyl N-[2-(1,3-oxazolidin-3-yl)-2-oxoethyl]carbamate?
The canonical SMILES for methyl N-[2-(1,3-oxazolidin-3-yl)-2-oxoethyl]carbamate is COC(=O)NCC(=O)N1CCOC1.
What is the InChIKey of methyl N-[2-(1,3-oxazolidin-3-yl)-2-oxoethyl]carbamate?
The InChIKey is KZZOMZGPWCMAQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O4/c1-12-7(11)8-4-6(10)9-2-3-13-5-9/h2-5H2,1H3,(H,8,11).
What are the key properties of methyl N-[2-(1,3-oxazolidin-3-yl)-2-oxoethyl]carbamate?
methyl N-[2-(1,3-oxazolidin-3-yl)-2-oxoethyl]carbamate has a molecular weight of 188.18 g/mol, XLogP of -0.84, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-(1,3-oxazolidin-3-yl)-2-oxoethyl]carbamate is sourced from PubChem (CID 121420123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).