1-[2-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-3-phenylurea

C17H15FN4O2 — CID 110320970

IUPAC1-[2-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-3-phenylurea
SMILESO=C(NCCc1nnc(-c2ccccc2F)o1)Nc1ccccc1
InChIInChI=1S/C17H15FN4O2/c18-14-9-5-4-8-13(14)16-22-21-15(24-16)10-11-19-17(23)20-12-6-2-1-3-7-12/h1-9H,10-11H2,(H2,19,20,23)
InChIKeyRRHQRHNZHSGKFO-UHFFFAOYSA-N
MW326.33 g/mol
LogP3.24
Rot. Bonds5

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

1-[2-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-3-phenylurea (PubChem CID 110320970) has the molecular formula C17H15FN4O2 and a molecular weight of 326.33 g/mol. Its IUPAC name is 1-[2-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-3-phenylurea.

Molecular Properties

Compound Name1-[2-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-3-phenylurea
PubChem CID110320970
Molecular FormulaC17H15FN4O2
Molecular Weight326.33 g/mol
Exact Mass326.12
IUPAC Name1-[2-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-3-phenylurea
SMILESO=C(NCCc1nnc(-c2ccccc2F)o1)Nc1ccccc1
InChIInChI=1S/C17H15FN4O2/c18-14-9-5-4-8-13(14)16-22-21-15(24-16)10-11-19-17(23)20-12-6-2-1-3-7-12/h1-9H,10-11H2,(H2,19,20,23)
InChIKeyRRHQRHNZHSGKFO-UHFFFAOYSA-N
XLogP3.24
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.33
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-2-thiophen-2-ylacetamide
CID 110320957
N-[2-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-3-methylbenzamide
CID 110320940
N-benzyl-3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110333805
N-[2-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-3-methoxybenzamide
CID 110320949
1-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-phenylurea
CID 110319278
N-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide
CID 110318958
3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 110333919
1-(4-chlorophenyl)-3-[2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]urea
CID 110321438
2-fluoro-N-[2-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]benzamide
CID 110321716
1-phenyl-3-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]urea
CID 110318453
2,3-difluoro-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]benzamide
CID 146126861
N-[2-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-3,4-difluorobenzamide
CID 110321560

Frequently Asked Questions

What is the IUPAC name of 1-[2-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-3-phenylurea?
The IUPAC name of 1-[2-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-3-phenylurea (CID 110320970) is 1-[2-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-3-phenylurea.
What is the SMILES notation for 1-[2-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-3-phenylurea?
The canonical SMILES for 1-[2-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-3-phenylurea is O=C(NCCc1nnc(-c2ccccc2F)o1)Nc1ccccc1.
What is the InChIKey of 1-[2-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-3-phenylurea?
The InChIKey is RRHQRHNZHSGKFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O2/c18-14-9-5-4-8-13(14)16-22-21-15(24-16)10-11-19-17(23)20-12-6-2-1-3-7-12/h1-9H,10-11H2,(H2,19,20,23).
What are the key properties of 1-[2-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-3-phenylurea?
1-[2-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-3-phenylurea has a molecular weight of 326.33 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-3-phenylurea is sourced from PubChem (CID 110320970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).