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

C18H12F2N4O2 — CID 167868127

IUPACN-[4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-1H-indole-2-carboxamide
SMILESO=C(Nc1ccc(-c2noc(C(F)F)n2)cc1)c1cc2ccccc2[nH]1
InChIInChI=1S/C18H12F2N4O2/c19-15(20)18-23-16(24-26-18)10-5-7-12(8-6-10)21-17(25)14-9-11-3-1-2-4-13(11)22-14/h1-9,15,22H,(H,21,25)
InChIKeyIZMHMSNPSVEJPK-UHFFFAOYSA-N
MW354.32 g/mol
LogP4.41
Rot. Bonds4

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

N-[4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-1H-indole-2-carboxamide (PubChem CID 167868127) has the molecular formula C18H12F2N4O2 and a molecular weight of 354.32 g/mol. Its IUPAC name is N-[4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-1H-indole-2-carboxamide
PubChem CID167868127
Molecular FormulaC18H12F2N4O2
Molecular Weight354.32 g/mol
Exact Mass354.09
IUPAC NameN-[4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-1H-indole-2-carboxamide
SMILESO=C(Nc1ccc(-c2noc(C(F)F)n2)cc1)c1cc2ccccc2[nH]1
InChIInChI=1S/C18H12F2N4O2/c19-15(20)18-23-16(24-26-18)10-5-7-12(8-6-10)21-17(25)14-9-11-3-1-2-4-13(11)22-14/h1-9,15,22H,(H,21,25)
InChIKeyIZMHMSNPSVEJPK-UHFFFAOYSA-N
XLogP4.41
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.32
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]carbamic acid
CID 146291046
N-[4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide
CID 166233213
N-(4-cyanophenyl)-1H-indole-2-carboxamide
CID 26699443
N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-1H-indole-2-carboxamide
CID 30780430
N-(6-bromo-3-pyridinyl)-1H-indole-2-carboxamide
CID 103789422
N-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indole-2-carboxamide
CID 115587298
N-[4-[5-[1-(1H-indole-2-carbonyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 53013369
ethyl 2-[4-(1H-indole-2-carbonylamino)anilino]-2-oxoacetate
CID 127044923
N-[4-[4-(4-hydroxy-3,3-dimethylbutanoyl)phenyl]phenyl]-1H-indole-2-carboxamide
CID 143314346
N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1H-indole-2-carboxamide
CID 42982780
N-[4-(methylsulfamoyl)phenyl]-1H-indole-2-carboxamide
CID 9188386
N-(2-phenyl-3H-benzimidazol-5-yl)-1H-indole-2-carboxamide
CID 67686453

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-1H-indole-2-carboxamide?
The IUPAC name of N-[4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-1H-indole-2-carboxamide (CID 167868127) is N-[4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-1H-indole-2-carboxamide.
What is the SMILES notation for N-[4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-1H-indole-2-carboxamide?
The canonical SMILES for N-[4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-1H-indole-2-carboxamide is O=C(Nc1ccc(-c2noc(C(F)F)n2)cc1)c1cc2ccccc2[nH]1.
What is the InChIKey of N-[4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-1H-indole-2-carboxamide?
The InChIKey is IZMHMSNPSVEJPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F2N4O2/c19-15(20)18-23-16(24-26-18)10-5-7-12(8-6-10)21-17(25)14-9-11-3-1-2-4-13(11)22-14/h1-9,15,22H,(H,21,25).
What are the key properties of N-[4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-1H-indole-2-carboxamide?
N-[4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-1H-indole-2-carboxamide has a molecular weight of 354.32 g/mol, XLogP of 4.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 167868127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).