1-ethyl-3-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)urea

C9H15N5O2 — CID 102703600

IUPAC1-ethyl-3-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)urea
SMILESCCNC(=O)Nc1nnc(C2CCCN2)o1
InChIInChI=1S/C9H15N5O2/c1-2-10-8(15)12-9-14-13-7(16-9)6-4-3-5-11-6/h6,11H,2-5H2,1H3,(H2,10,12,14,15)
InChIKeyBLYDRRCUKQQOLN-UHFFFAOYSA-N
MW225.25 g/mol
LogP0.64
Rot. Bonds3

About 1-ethyl-3-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)urea

1-ethyl-3-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)urea (PubChem CID 102703600) has the molecular formula C9H15N5O2 and a molecular weight of 225.25 g/mol. Its IUPAC name is 1-ethyl-3-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)urea.

Molecular Properties

Compound Name1-ethyl-3-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)urea
PubChem CID102703600
Molecular FormulaC9H15N5O2
Molecular Weight225.25 g/mol
Exact Mass225.12
IUPAC Name1-ethyl-3-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)urea
SMILESCCNC(=O)Nc1nnc(C2CCCN2)o1
InChIInChI=1S/C9H15N5O2/c1-2-10-8(15)12-9-14-13-7(16-9)6-4-3-5-11-6/h6,11H,2-5H2,1H3,(H2,10,12,14,15)
InChIKeyBLYDRRCUKQQOLN-UHFFFAOYSA-N
XLogP0.64
TPSA92.08 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)urea?
The IUPAC name of 1-ethyl-3-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)urea (CID 102703600) is 1-ethyl-3-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)urea.
What is the SMILES notation for 1-ethyl-3-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)urea?
The canonical SMILES for 1-ethyl-3-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)urea is CCNC(=O)Nc1nnc(C2CCCN2)o1.
What is the InChIKey of 1-ethyl-3-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)urea?
The InChIKey is BLYDRRCUKQQOLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O2/c1-2-10-8(15)12-9-14-13-7(16-9)6-4-3-5-11-6/h6,11H,2-5H2,1H3,(H2,10,12,14,15).
What are the key properties of 1-ethyl-3-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)urea?
1-ethyl-3-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)urea has a molecular weight of 225.25 g/mol, XLogP of 0.64, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)urea is sourced from PubChem (CID 102703600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).