N-[3-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-3-oxocyclobutane-1-carboxamide

C14H11F2N3O3 — CID 122152346

IUPACN-[3-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-3-oxocyclobutane-1-carboxamide
SMILESO=C1CC(C(=O)Nc2cccc(-c3noc(C(F)F)n3)c2)C1
InChIInChI=1S/C14H11F2N3O3/c15-11(16)14-18-12(19-22-14)7-2-1-3-9(4-7)17-13(21)8-5-10(20)6-8/h1-4,8,11H,5-6H2,(H,17,21)
InChIKeyOUTGPIZXVDENJC-UHFFFAOYSA-N
MW307.26 g/mol
LogP2.59
Rot. Bonds4

About N-[3-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-3-oxocyclobutane-1-carboxamide

N-[3-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-3-oxocyclobutane-1-carboxamide (PubChem CID 122152346) has the molecular formula C14H11F2N3O3 and a molecular weight of 307.26 g/mol. Its IUPAC name is N-[3-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-3-oxocyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-[3-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-3-oxocyclobutane-1-carboxamide
PubChem CID122152346
Molecular FormulaC14H11F2N3O3
Molecular Weight307.26 g/mol
Exact Mass307.08
IUPAC NameN-[3-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-3-oxocyclobutane-1-carboxamide
SMILESO=C1CC(C(=O)Nc2cccc(-c3noc(C(F)F)n3)c2)C1
InChIInChI=1S/C14H11F2N3O3/c15-11(16)14-18-12(19-22-14)7-2-1-3-9(4-7)17-13(21)8-5-10(20)6-8/h1-4,8,11H,5-6H2,(H,17,21)
InChIKeyOUTGPIZXVDENJC-UHFFFAOYSA-N
XLogP2.59
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.26
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-3-methoxythiophene-2-carboxamide
CID 154859447
N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]oxane-4-carboxamide
CID 71856405
4-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120674434
N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]cyclobutanecarboxamide
CID 35521938
1,1-dimethyl-3-[3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenyl]urea
CID 54347886
(3S)-N-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 92746342
N-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46292736
[4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]carbamic acid
CID 146291046
N-[3-[5-[(7S)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl]-1,2,4-oxadiazol-3-yl]phenyl]cyclopropanecarboxamide
CID 97350755
N-[3-[5-(piperidin-4-ylmethyl)-1,2,4-oxadiazol-3-yl]phenyl]cyclopropanecarboxamide
CID 154862591
N-[3-[5-[2-oxo-7-(trifluoromethyl)-1H-quinolin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]cyclobutanecarboxamide
CID 167941351
(3S)-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 92746707

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-3-oxocyclobutane-1-carboxamide?
The IUPAC name of N-[3-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-3-oxocyclobutane-1-carboxamide (CID 122152346) is N-[3-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-3-oxocyclobutane-1-carboxamide.
What is the SMILES notation for N-[3-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-3-oxocyclobutane-1-carboxamide?
The canonical SMILES for N-[3-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-3-oxocyclobutane-1-carboxamide is O=C1CC(C(=O)Nc2cccc(-c3noc(C(F)F)n3)c2)C1.
What is the InChIKey of N-[3-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-3-oxocyclobutane-1-carboxamide?
The InChIKey is OUTGPIZXVDENJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2N3O3/c15-11(16)14-18-12(19-22-14)7-2-1-3-9(4-7)17-13(21)8-5-10(20)6-8/h1-4,8,11H,5-6H2,(H,17,21).
What are the key properties of N-[3-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-3-oxocyclobutane-1-carboxamide?
N-[3-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-3-oxocyclobutane-1-carboxamide has a molecular weight of 307.26 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-3-oxocyclobutane-1-carboxamide is sourced from PubChem (CID 122152346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).