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

C7H13N3O3 — CID 130605339

IUPAC1-methyl-3-[2-(1,2-oxazolidin-2-yl)-2-oxoethyl]urea
SMILESCNC(=O)NCC(=O)N1CCCO1
InChIInChI=1S/C7H13N3O3/c1-8-7(12)9-5-6(11)10-3-2-4-13-10/h2-5H2,1H3,(H2,8,9,12)
InChIKeyATKYAHFAWMFXEF-UHFFFAOYSA-N
MW187.20 g/mol
LogP-0.92
Rot. Bonds2

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

1-methyl-3-[2-(1,2-oxazolidin-2-yl)-2-oxoethyl]urea (PubChem CID 130605339) has the molecular formula C7H13N3O3 and a molecular weight of 187.20 g/mol. Its IUPAC name is 1-methyl-3-[2-(1,2-oxazolidin-2-yl)-2-oxoethyl]urea.

Molecular Properties

Compound Name1-methyl-3-[2-(1,2-oxazolidin-2-yl)-2-oxoethyl]urea
PubChem CID130605339
Molecular FormulaC7H13N3O3
Molecular Weight187.20 g/mol
Exact Mass187.10
IUPAC Name1-methyl-3-[2-(1,2-oxazolidin-2-yl)-2-oxoethyl]urea
SMILESCNC(=O)NCC(=O)N1CCCO1
InChIInChI=1S/C7H13N3O3/c1-8-7(12)9-5-6(11)10-3-2-4-13-10/h2-5H2,1H3,(H2,8,9,12)
InChIKeyATKYAHFAWMFXEF-UHFFFAOYSA-N
XLogP-0.92
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 5-0.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[2-(1,2-oxazolidin-2-yl)-2-oxoethyl]urea?
The IUPAC name of 1-methyl-3-[2-(1,2-oxazolidin-2-yl)-2-oxoethyl]urea (CID 130605339) is 1-methyl-3-[2-(1,2-oxazolidin-2-yl)-2-oxoethyl]urea.
What is the SMILES notation for 1-methyl-3-[2-(1,2-oxazolidin-2-yl)-2-oxoethyl]urea?
The canonical SMILES for 1-methyl-3-[2-(1,2-oxazolidin-2-yl)-2-oxoethyl]urea is CNC(=O)NCC(=O)N1CCCO1.
What is the InChIKey of 1-methyl-3-[2-(1,2-oxazolidin-2-yl)-2-oxoethyl]urea?
The InChIKey is ATKYAHFAWMFXEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O3/c1-8-7(12)9-5-6(11)10-3-2-4-13-10/h2-5H2,1H3,(H2,8,9,12).
What are the key properties of 1-methyl-3-[2-(1,2-oxazolidin-2-yl)-2-oxoethyl]urea?
1-methyl-3-[2-(1,2-oxazolidin-2-yl)-2-oxoethyl]urea has a molecular weight of 187.20 g/mol, XLogP of -0.92, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[2-(1,2-oxazolidin-2-yl)-2-oxoethyl]urea is sourced from PubChem (CID 130605339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).