1-[6-(2,2-difluoroethoxy)-2-pyridinyl]-3-(1,2,5-oxadiazol-3-ylmethyl)urea

C11H11F2N5O3 — CID 154771848

IUPAC1-[6-(2,2-difluoroethoxy)-2-pyridinyl]-3-(1,2,5-oxadiazol-3-ylmethyl)urea
SMILESO=C(NCc1cnon1)Nc1cccc(OCC(F)F)n1
InChIInChI=1S/C11H11F2N5O3/c12-8(13)6-20-10-3-1-2-9(16-10)17-11(19)14-4-7-5-15-21-18-7/h1-3,5,8H,4,6H2,(H2,14,16,17,19)
InChIKeyNOBCANGXOKKFBL-UHFFFAOYSA-N
MW299.24 g/mol
LogP1.43
Rot. Bonds6

About 1-[6-(2,2-difluoroethoxy)-2-pyridinyl]-3-(1,2,5-oxadiazol-3-ylmethyl)urea

1-[6-(2,2-difluoroethoxy)-2-pyridinyl]-3-(1,2,5-oxadiazol-3-ylmethyl)urea (PubChem CID 154771848) has the molecular formula C11H11F2N5O3 and a molecular weight of 299.24 g/mol. Its IUPAC name is 1-[6-(2,2-difluoroethoxy)-2-pyridinyl]-3-(1,2,5-oxadiazol-3-ylmethyl)urea.

Molecular Properties

Compound Name1-[6-(2,2-difluoroethoxy)-2-pyridinyl]-3-(1,2,5-oxadiazol-3-ylmethyl)urea
PubChem CID154771848
Molecular FormulaC11H11F2N5O3
Molecular Weight299.24 g/mol
Exact Mass299.08
IUPAC Name1-[6-(2,2-difluoroethoxy)-2-pyridinyl]-3-(1,2,5-oxadiazol-3-ylmethyl)urea
SMILESO=C(NCc1cnon1)Nc1cccc(OCC(F)F)n1
InChIInChI=1S/C11H11F2N5O3/c12-8(13)6-20-10-3-1-2-9(16-10)17-11(19)14-4-7-5-15-21-18-7/h1-3,5,8H,4,6H2,(H2,14,16,17,19)
InChIKeyNOBCANGXOKKFBL-UHFFFAOYSA-N
XLogP1.43
TPSA102.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.24
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[6-(2,2-difluoroethoxy)-2-pyridinyl]-3-(1,2,5-oxadiazol-3-ylmethyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[6-(2,2-difluoroethoxy)-2-pyridinyl]-3-(1,2,5-oxadiazol-3-ylmethyl)urea?
The IUPAC name of 1-[6-(2,2-difluoroethoxy)-2-pyridinyl]-3-(1,2,5-oxadiazol-3-ylmethyl)urea (CID 154771848) is 1-[6-(2,2-difluoroethoxy)-2-pyridinyl]-3-(1,2,5-oxadiazol-3-ylmethyl)urea.
What is the SMILES notation for 1-[6-(2,2-difluoroethoxy)-2-pyridinyl]-3-(1,2,5-oxadiazol-3-ylmethyl)urea?
The canonical SMILES for 1-[6-(2,2-difluoroethoxy)-2-pyridinyl]-3-(1,2,5-oxadiazol-3-ylmethyl)urea is O=C(NCc1cnon1)Nc1cccc(OCC(F)F)n1.
What is the InChIKey of 1-[6-(2,2-difluoroethoxy)-2-pyridinyl]-3-(1,2,5-oxadiazol-3-ylmethyl)urea?
The InChIKey is NOBCANGXOKKFBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N5O3/c12-8(13)6-20-10-3-1-2-9(16-10)17-11(19)14-4-7-5-15-21-18-7/h1-3,5,8H,4,6H2,(H2,14,16,17,19).
What are the key properties of 1-[6-(2,2-difluoroethoxy)-2-pyridinyl]-3-(1,2,5-oxadiazol-3-ylmethyl)urea?
1-[6-(2,2-difluoroethoxy)-2-pyridinyl]-3-(1,2,5-oxadiazol-3-ylmethyl)urea has a molecular weight of 299.24 g/mol, XLogP of 1.43, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2,2-difluoroethoxy)-2-pyridinyl]-3-(1,2,5-oxadiazol-3-ylmethyl)urea is sourced from PubChem (CID 154771848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).