[4-[3,5-difluoro-2-(5-methyl-1,2,4-oxadiazol-3-yl)indol-1-yl]phenyl]methanamine

C18H14F2N4O — CID 67517257

IUPAC[4-[3,5-difluoro-2-(5-methyl-1,2,4-oxadiazol-3-yl)indol-1-yl]phenyl]methanamine
SMILESCc1nc(-c2c(F)c3cc(F)ccc3n2-c2ccc(CN)cc2)no1
InChIInChI=1S/C18H14F2N4O/c1-10-22-18(23-25-10)17-16(20)14-8-12(19)4-7-15(14)24(17)13-5-2-11(9-21)3-6-13/h2-8H,9,21H2,1H3
InChIKeyLPHVFBRNDPYSEE-UHFFFAOYSA-N
MW340.33 g/mol
LogP3.73
Rot. Bonds3

About [4-[3,5-difluoro-2-(5-methyl-1,2,4-oxadiazol-3-yl)indol-1-yl]phenyl]methanamine

[4-[3,5-difluoro-2-(5-methyl-1,2,4-oxadiazol-3-yl)indol-1-yl]phenyl]methanamine (PubChem CID 67517257) has the molecular formula C18H14F2N4O and a molecular weight of 340.33 g/mol. Its IUPAC name is [4-[3,5-difluoro-2-(5-methyl-1,2,4-oxadiazol-3-yl)indol-1-yl]phenyl]methanamine.

Molecular Properties

Compound Name[4-[3,5-difluoro-2-(5-methyl-1,2,4-oxadiazol-3-yl)indol-1-yl]phenyl]methanamine
PubChem CID67517257
Molecular FormulaC18H14F2N4O
Molecular Weight340.33 g/mol
Exact Mass340.11
IUPAC Name[4-[3,5-difluoro-2-(5-methyl-1,2,4-oxadiazol-3-yl)indol-1-yl]phenyl]methanamine
SMILESCc1nc(-c2c(F)c3cc(F)ccc3n2-c2ccc(CN)cc2)no1
InChIInChI=1S/C18H14F2N4O/c1-10-22-18(23-25-10)17-16(20)14-8-12(19)4-7-15(14)24(17)13-5-2-11(9-21)3-6-13/h2-8H,9,21H2,1H3
InChIKeyLPHVFBRNDPYSEE-UHFFFAOYSA-N
XLogP3.73
TPSA69.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.33
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[3,5-difluoro-2-(5-methyl-1,2,4-oxadiazol-3-yl)indol-1-yl]phenyl]methanamine?
The IUPAC name of [4-[3,5-difluoro-2-(5-methyl-1,2,4-oxadiazol-3-yl)indol-1-yl]phenyl]methanamine (CID 67517257) is [4-[3,5-difluoro-2-(5-methyl-1,2,4-oxadiazol-3-yl)indol-1-yl]phenyl]methanamine.
What is the SMILES notation for [4-[3,5-difluoro-2-(5-methyl-1,2,4-oxadiazol-3-yl)indol-1-yl]phenyl]methanamine?
The canonical SMILES for [4-[3,5-difluoro-2-(5-methyl-1,2,4-oxadiazol-3-yl)indol-1-yl]phenyl]methanamine is Cc1nc(-c2c(F)c3cc(F)ccc3n2-c2ccc(CN)cc2)no1.
What is the InChIKey of [4-[3,5-difluoro-2-(5-methyl-1,2,4-oxadiazol-3-yl)indol-1-yl]phenyl]methanamine?
The InChIKey is LPHVFBRNDPYSEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N4O/c1-10-22-18(23-25-10)17-16(20)14-8-12(19)4-7-15(14)24(17)13-5-2-11(9-21)3-6-13/h2-8H,9,21H2,1H3.
What are the key properties of [4-[3,5-difluoro-2-(5-methyl-1,2,4-oxadiazol-3-yl)indol-1-yl]phenyl]methanamine?
[4-[3,5-difluoro-2-(5-methyl-1,2,4-oxadiazol-3-yl)indol-1-yl]phenyl]methanamine has a molecular weight of 340.33 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3,5-difluoro-2-(5-methyl-1,2,4-oxadiazol-3-yl)indol-1-yl]phenyl]methanamine is sourced from PubChem (CID 67517257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).