N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-3-methylaniline

C16H14F2N4O — CID 126545809

IUPACN-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-3-methylaniline
SMILESCc1cccc(NCc2ccc(-c3nnc(C(F)F)o3)cn2)c1
InChIInChI=1S/C16H14F2N4O/c1-10-3-2-4-12(7-10)20-9-13-6-5-11(8-19-13)15-21-22-16(23-15)14(17)18/h2-8,14,20H,9H2,1H3
InChIKeyVYNDBYSYFIMOGA-UHFFFAOYSA-N
MW316.31 g/mol
LogP3.99
Rot. Bonds5

About N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-3-methylaniline

N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-3-methylaniline (PubChem CID 126545809) has the molecular formula C16H14F2N4O and a molecular weight of 316.31 g/mol. Its IUPAC name is N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-3-methylaniline.

Molecular Properties

Compound NameN-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-3-methylaniline
PubChem CID126545809
Molecular FormulaC16H14F2N4O
Molecular Weight316.31 g/mol
Exact Mass316.11
IUPAC NameN-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-3-methylaniline
SMILESCc1cccc(NCc2ccc(-c3nnc(C(F)F)o3)cn2)c1
InChIInChI=1S/C16H14F2N4O/c1-10-3-2-4-12(7-10)20-9-13-6-5-11(8-19-13)15-21-22-16(23-15)14(17)18/h2-8,14,20H,9H2,1H3
InChIKeyVYNDBYSYFIMOGA-UHFFFAOYSA-N
XLogP3.99
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.31
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-3-methylaniline?
The IUPAC name of N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-3-methylaniline (CID 126545809) is N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-3-methylaniline.
What is the SMILES notation for N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-3-methylaniline?
The canonical SMILES for N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-3-methylaniline is Cc1cccc(NCc2ccc(-c3nnc(C(F)F)o3)cn2)c1.
What is the InChIKey of N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-3-methylaniline?
The InChIKey is VYNDBYSYFIMOGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N4O/c1-10-3-2-4-12(7-10)20-9-13-6-5-11(8-19-13)15-21-22-16(23-15)14(17)18/h2-8,14,20H,9H2,1H3.
What are the key properties of N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-3-methylaniline?
N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-3-methylaniline has a molecular weight of 316.31 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-3-methylaniline is sourced from PubChem (CID 126545809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).