[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamic acid

C16H10FN3O4 — CID 91226224

IUPAC[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamic acid
SMILESO=C(O)NC(=O)c1cccc(-c2noc(-c3ccccc3F)n2)c1
InChIInChI=1S/C16H10FN3O4/c17-12-7-2-1-6-11(12)15-18-13(20-24-15)9-4-3-5-10(8-9)14(21)19-16(22)23/h1-8H,(H,19,21)(H,22,23)
InChIKeyLEAYYUJJJALXBJ-UHFFFAOYSA-N
MW327.27 g/mol
LogP2.95
Rot. Bonds3

About [3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamic acid

[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamic acid (PubChem CID 91226224) has the molecular formula C16H10FN3O4 and a molecular weight of 327.27 g/mol. Its IUPAC name is [3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamic acid.

Molecular Properties

Compound Name[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamic acid
PubChem CID91226224
Molecular FormulaC16H10FN3O4
Molecular Weight327.27 g/mol
Exact Mass327.07
IUPAC Name[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamic acid
SMILESO=C(O)NC(=O)c1cccc(-c2noc(-c3ccccc3F)n2)c1
InChIInChI=1S/C16H10FN3O4/c17-12-7-2-1-6-11(12)15-18-13(20-24-15)9-4-3-5-10(8-9)14(21)19-16(22)23/h1-8H,(H,19,21)(H,22,23)
InChIKeyLEAYYUJJJALXBJ-UHFFFAOYSA-N
XLogP2.95
TPSA105.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.27
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

sodium 3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoate
CID 23705996
sodium;3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoic acid;3-(5-phenyl-1,2,4-oxadiazol-3-yl)benzoate
CID 162252966
2-amino-2-(hydroxymethyl)propane-1,3-diol;3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoic acid
CID 91884623
5-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-2-hydroxybenzoic acid
CID 135924068
[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]methanediol
CID 123369622
3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]aniline
CID 42281998
2-[2-(3-methoxypropoxy)ethoxy]ethyl 3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoate
CID 142953500
3-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]benzoic acid;3-(5-phenyl-1,2,4-oxadiazol-3-yl)benzoic acid
CID 159299001
N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]cyclobutanecarboxamide
CID 35521938
N-methyl-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]benzamide
CID 1247975
2,3,4,6-tetradeuterio-5-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoic acid
CID 121320596
3-[5-(2-bromophenyl)-1,2,4-oxadiazol-3-yl]-N-propan-2-ylbenzamide
CID 50778877

Frequently Asked Questions

What is the IUPAC name of [3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamic acid?
The IUPAC name of [3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamic acid (CID 91226224) is [3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamic acid.
What is the SMILES notation for [3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamic acid?
The canonical SMILES for [3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamic acid is O=C(O)NC(=O)c1cccc(-c2noc(-c3ccccc3F)n2)c1.
What is the InChIKey of [3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamic acid?
The InChIKey is LEAYYUJJJALXBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10FN3O4/c17-12-7-2-1-6-11(12)15-18-13(20-24-15)9-4-3-5-10(8-9)14(21)19-16(22)23/h1-8H,(H,19,21)(H,22,23).
What are the key properties of [3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamic acid?
[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamic acid has a molecular weight of 327.27 g/mol, XLogP of 2.95, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamic acid is sourced from PubChem (CID 91226224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).