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

C10H17N5O2 — CID 102703621

IUPAC1-ethyl-1-methyl-3-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)urea
SMILESCCN(C)C(=O)Nc1nnc(C2CCCN2)o1
InChIInChI=1S/C10H17N5O2/c1-3-15(2)10(16)12-9-14-13-8(17-9)7-5-4-6-11-7/h7,11H,3-6H2,1-2H3,(H,12,14,16)
InChIKeyFBLBGBPIWZLECC-UHFFFAOYSA-N
MW239.28 g/mol
LogP0.98
Rot. Bonds3

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

1-ethyl-1-methyl-3-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)urea (PubChem CID 102703621) has the molecular formula C10H17N5O2 and a molecular weight of 239.28 g/mol. Its IUPAC name is 1-ethyl-1-methyl-3-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)urea.

Molecular Properties

Compound Name1-ethyl-1-methyl-3-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)urea
PubChem CID102703621
Molecular FormulaC10H17N5O2
Molecular Weight239.28 g/mol
Exact Mass239.14
IUPAC Name1-ethyl-1-methyl-3-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)urea
SMILESCCN(C)C(=O)Nc1nnc(C2CCCN2)o1
InChIInChI=1S/C10H17N5O2/c1-3-15(2)10(16)12-9-14-13-8(17-9)7-5-4-6-11-7/h7,11H,3-6H2,1-2H3,(H,12,14,16)
InChIKeyFBLBGBPIWZLECC-UHFFFAOYSA-N
XLogP0.98
TPSA83.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-methyl-3-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)urea?
The IUPAC name of 1-ethyl-1-methyl-3-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)urea (CID 102703621) is 1-ethyl-1-methyl-3-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)urea.
What is the SMILES notation for 1-ethyl-1-methyl-3-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)urea?
The canonical SMILES for 1-ethyl-1-methyl-3-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)urea is CCN(C)C(=O)Nc1nnc(C2CCCN2)o1.
What is the InChIKey of 1-ethyl-1-methyl-3-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)urea?
The InChIKey is FBLBGBPIWZLECC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O2/c1-3-15(2)10(16)12-9-14-13-8(17-9)7-5-4-6-11-7/h7,11H,3-6H2,1-2H3,(H,12,14,16).
What are the key properties of 1-ethyl-1-methyl-3-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)urea?
1-ethyl-1-methyl-3-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)urea has a molecular weight of 239.28 g/mol, XLogP of 0.98, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-methyl-3-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)urea is sourced from PubChem (CID 102703621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).