1-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-3-(2,4-difluorophenyl)urea

C17H14F2N4O2 — CID 47081549

IUPAC1-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-3-(2,4-difluorophenyl)urea
SMILESO=C(NCc1nc(Cc2ccccc2)no1)Nc1ccc(F)cc1F
InChIInChI=1S/C17H14F2N4O2/c18-12-6-7-14(13(19)9-12)21-17(24)20-10-16-22-15(23-25-16)8-11-4-2-1-3-5-11/h1-7,9H,8,10H2,(H2,20,21,24)
InChIKeyQDYSETUGBYRIMN-UHFFFAOYSA-N
MW344.32 g/mol
LogP3.26
Rot. Bonds5

About 1-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-3-(2,4-difluorophenyl)urea

1-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-3-(2,4-difluorophenyl)urea (PubChem CID 47081549) has the molecular formula C17H14F2N4O2 and a molecular weight of 344.32 g/mol. Its IUPAC name is 1-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-3-(2,4-difluorophenyl)urea.

Molecular Properties

Compound Name1-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-3-(2,4-difluorophenyl)urea
PubChem CID47081549
Molecular FormulaC17H14F2N4O2
Molecular Weight344.32 g/mol
Exact Mass344.11
IUPAC Name1-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-3-(2,4-difluorophenyl)urea
SMILESO=C(NCc1nc(Cc2ccccc2)no1)Nc1ccc(F)cc1F
InChIInChI=1S/C17H14F2N4O2/c18-12-6-7-14(13(19)9-12)21-17(24)20-10-16-22-15(23-25-16)8-11-4-2-1-3-5-11/h1-7,9H,8,10H2,(H2,20,21,24)
InChIKeyQDYSETUGBYRIMN-UHFFFAOYSA-N
XLogP3.26
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.32
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-2,5-difluorobenzamide
CID 91763292
1-(2,4-difluorophenyl)-3-[[3-(hydroxymethyl)phenyl]methyl]urea
CID 63311976
N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]cyclobutanecarboxamide
CID 47437849
1-[(3-aminophenyl)methyl]-3-(2,4-difluorophenyl)urea
CID 62498968
1-(2,4-difluorophenyl)-3-(4-phenylbutyl)urea
CID 24818673
2-[(3-benzyl-1,2,4-oxadiazol-5-yl)methylamino]-N-methylpropanamide
CID 61464371
N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-1-phenylmethanamine
CID 43663035
1-[(4-bromophenyl)methyl]-3-(2,4-difluorophenyl)urea
CID 60969569
2-[(3-benzyl-1,2,4-oxadiazol-5-yl)methylamino]-N-methylacetamide
CID 43663077
1-(2,4-difluorophenyl)-3-[2-(3-fluorophenyl)ethyl]urea
CID 46647390
1-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-3-[1-[(1R)-1-cyclopropylethyl]-4-methylpyrazol-5-yl]urea
CID 97433882
1-(2-chloro-4-fluoro-5-methylphenyl)-3-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]urea
CID 72858536

Frequently Asked Questions

What is the IUPAC name of 1-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-3-(2,4-difluorophenyl)urea?
The IUPAC name of 1-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-3-(2,4-difluorophenyl)urea (CID 47081549) is 1-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-3-(2,4-difluorophenyl)urea.
What is the SMILES notation for 1-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-3-(2,4-difluorophenyl)urea?
The canonical SMILES for 1-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-3-(2,4-difluorophenyl)urea is O=C(NCc1nc(Cc2ccccc2)no1)Nc1ccc(F)cc1F.
What is the InChIKey of 1-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-3-(2,4-difluorophenyl)urea?
The InChIKey is QDYSETUGBYRIMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N4O2/c18-12-6-7-14(13(19)9-12)21-17(24)20-10-16-22-15(23-25-16)8-11-4-2-1-3-5-11/h1-7,9H,8,10H2,(H2,20,21,24).
What are the key properties of 1-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-3-(2,4-difluorophenyl)urea?
1-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-3-(2,4-difluorophenyl)urea has a molecular weight of 344.32 g/mol, XLogP of 3.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-3-(2,4-difluorophenyl)urea is sourced from PubChem (CID 47081549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).