1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]-3-(5-propan-2-yl-1,2-oxazol-3-yl)urea

C13H18N4O4 — CID 136528968

IUPAC1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]-3-(5-propan-2-yl-1,2-oxazol-3-yl)urea
SMILESCC(C)c1cc(NC(=O)NCCN2C(=O)CCC2=O)no1
InChIInChI=1S/C13H18N4O4/c1-8(2)9-7-10(16-21-9)15-13(20)14-5-6-17-11(18)3-4-12(17)19/h7-8H,3-6H2,1-2H3,(H2,14,15,16,20)
InChIKeyNDURTBJOWIUTNO-UHFFFAOYSA-N
MW294.31 g/mol
LogP1.07
Rot. Bonds5

About 1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]-3-(5-propan-2-yl-1,2-oxazol-3-yl)urea

1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]-3-(5-propan-2-yl-1,2-oxazol-3-yl)urea (PubChem CID 136528968) has the molecular formula C13H18N4O4 and a molecular weight of 294.31 g/mol. Its IUPAC name is 1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]-3-(5-propan-2-yl-1,2-oxazol-3-yl)urea.

Molecular Properties

Compound Name1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]-3-(5-propan-2-yl-1,2-oxazol-3-yl)urea
PubChem CID136528968
Molecular FormulaC13H18N4O4
Molecular Weight294.31 g/mol
Exact Mass294.13
IUPAC Name1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]-3-(5-propan-2-yl-1,2-oxazol-3-yl)urea
SMILESCC(C)c1cc(NC(=O)NCCN2C(=O)CCC2=O)no1
InChIInChI=1S/C13H18N4O4/c1-8(2)9-7-10(16-21-9)15-13(20)14-5-6-17-11(18)3-4-12(17)19/h7-8H,3-6H2,1-2H3,(H2,14,15,16,20)
InChIKeyNDURTBJOWIUTNO-UHFFFAOYSA-N
XLogP1.07
TPSA104.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]-3-(5-propan-2-yl-1,2-oxazol-3-yl)urea?
The IUPAC name of 1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]-3-(5-propan-2-yl-1,2-oxazol-3-yl)urea (CID 136528968) is 1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]-3-(5-propan-2-yl-1,2-oxazol-3-yl)urea.
What is the SMILES notation for 1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]-3-(5-propan-2-yl-1,2-oxazol-3-yl)urea?
The canonical SMILES for 1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]-3-(5-propan-2-yl-1,2-oxazol-3-yl)urea is CC(C)c1cc(NC(=O)NCCN2C(=O)CCC2=O)no1.
What is the InChIKey of 1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]-3-(5-propan-2-yl-1,2-oxazol-3-yl)urea?
The InChIKey is NDURTBJOWIUTNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O4/c1-8(2)9-7-10(16-21-9)15-13(20)14-5-6-17-11(18)3-4-12(17)19/h7-8H,3-6H2,1-2H3,(H2,14,15,16,20).
What are the key properties of 1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]-3-(5-propan-2-yl-1,2-oxazol-3-yl)urea?
1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]-3-(5-propan-2-yl-1,2-oxazol-3-yl)urea has a molecular weight of 294.31 g/mol, XLogP of 1.07, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]-3-(5-propan-2-yl-1,2-oxazol-3-yl)urea is sourced from PubChem (CID 136528968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).