3-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-fluorophenyl]-1-ethyl-1-(2-hydroxyethyl)urea

C16H19FN4O3 — CID 111566411

IUPAC3-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-fluorophenyl]-1-ethyl-1-(2-hydroxyethyl)urea
SMILESCCN(CCO)C(=O)Nc1ccc(F)cc1-c1nc(C2CC2)no1
InChIInChI=1S/C16H19FN4O3/c1-2-21(7-8-22)16(23)18-13-6-5-11(17)9-12(13)15-19-14(20-24-15)10-3-4-10/h5-6,9-10,22H,2-4,7-8H2,1H3,(H,18,23)
InChIKeyGWJHDPQPKLABFW-UHFFFAOYSA-N
MW334.35 g/mol
LogP2.60
Rot. Bonds6

About 3-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-fluorophenyl]-1-ethyl-1-(2-hydroxyethyl)urea

3-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-fluorophenyl]-1-ethyl-1-(2-hydroxyethyl)urea (PubChem CID 111566411) has the molecular formula C16H19FN4O3 and a molecular weight of 334.35 g/mol. Its IUPAC name is 3-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-fluorophenyl]-1-ethyl-1-(2-hydroxyethyl)urea.

Molecular Properties

Compound Name3-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-fluorophenyl]-1-ethyl-1-(2-hydroxyethyl)urea
PubChem CID111566411
Molecular FormulaC16H19FN4O3
Molecular Weight334.35 g/mol
Exact Mass334.14
IUPAC Name3-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-fluorophenyl]-1-ethyl-1-(2-hydroxyethyl)urea
SMILESCCN(CCO)C(=O)Nc1ccc(F)cc1-c1nc(C2CC2)no1
InChIInChI=1S/C16H19FN4O3/c1-2-21(7-8-22)16(23)18-13-6-5-11(17)9-12(13)15-19-14(20-24-15)10-3-4-10/h5-6,9-10,22H,2-4,7-8H2,1H3,(H,18,23)
InChIKeyGWJHDPQPKLABFW-UHFFFAOYSA-N
XLogP2.60
TPSA91.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-fluorophenyl]-1-ethyl-1-(2-hydroxyethyl)urea?
The IUPAC name of 3-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-fluorophenyl]-1-ethyl-1-(2-hydroxyethyl)urea (CID 111566411) is 3-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-fluorophenyl]-1-ethyl-1-(2-hydroxyethyl)urea.
What is the SMILES notation for 3-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-fluorophenyl]-1-ethyl-1-(2-hydroxyethyl)urea?
The canonical SMILES for 3-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-fluorophenyl]-1-ethyl-1-(2-hydroxyethyl)urea is CCN(CCO)C(=O)Nc1ccc(F)cc1-c1nc(C2CC2)no1.
What is the InChIKey of 3-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-fluorophenyl]-1-ethyl-1-(2-hydroxyethyl)urea?
The InChIKey is GWJHDPQPKLABFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O3/c1-2-21(7-8-22)16(23)18-13-6-5-11(17)9-12(13)15-19-14(20-24-15)10-3-4-10/h5-6,9-10,22H,2-4,7-8H2,1H3,(H,18,23).
What are the key properties of 3-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-fluorophenyl]-1-ethyl-1-(2-hydroxyethyl)urea?
3-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-fluorophenyl]-1-ethyl-1-(2-hydroxyethyl)urea has a molecular weight of 334.35 g/mol, XLogP of 2.60, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-fluorophenyl]-1-ethyl-1-(2-hydroxyethyl)urea is sourced from PubChem (CID 111566411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).