2-[difluoro(naphthalen-1-yl)methyl]-5-propan-2-yl-1,3,4-oxadiazole

C16H14F2N2O — CID 170757983

IUPAC2-[difluoro(naphthalen-1-yl)methyl]-5-propan-2-yl-1,3,4-oxadiazole
SMILESCC(C)c1nnc(C(F)(F)c2cccc3ccccc23)o1
InChIInChI=1S/C16H14F2N2O/c1-10(2)14-19-20-15(21-14)16(17,18)13-9-5-7-11-6-3-4-8-12(11)13/h3-10H,1-2H3
InChIKeyMTVLBRIPEQBIGF-UHFFFAOYSA-N
MW288.30 g/mol
LogP4.49
Rot. Bonds3

About 2-[difluoro(naphthalen-1-yl)methyl]-5-propan-2-yl-1,3,4-oxadiazole

2-[difluoro(naphthalen-1-yl)methyl]-5-propan-2-yl-1,3,4-oxadiazole (PubChem CID 170757983) has the molecular formula C16H14F2N2O and a molecular weight of 288.30 g/mol. Its IUPAC name is 2-[difluoro(naphthalen-1-yl)methyl]-5-propan-2-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[difluoro(naphthalen-1-yl)methyl]-5-propan-2-yl-1,3,4-oxadiazole
PubChem CID170757983
Molecular FormulaC16H14F2N2O
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name2-[difluoro(naphthalen-1-yl)methyl]-5-propan-2-yl-1,3,4-oxadiazole
SMILESCC(C)c1nnc(C(F)(F)c2cccc3ccccc23)o1
InChIInChI=1S/C16H14F2N2O/c1-10(2)14-19-20-15(21-14)16(17,18)13-9-5-7-11-6-3-4-8-12(11)13/h3-10H,1-2H3
InChIKeyMTVLBRIPEQBIGF-UHFFFAOYSA-N
XLogP4.49
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[difluoro(naphthalen-1-yl)methyl]-5-propan-2-yl-1,3,4-oxadiazole?
The IUPAC name of 2-[difluoro(naphthalen-1-yl)methyl]-5-propan-2-yl-1,3,4-oxadiazole (CID 170757983) is 2-[difluoro(naphthalen-1-yl)methyl]-5-propan-2-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[difluoro(naphthalen-1-yl)methyl]-5-propan-2-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-[difluoro(naphthalen-1-yl)methyl]-5-propan-2-yl-1,3,4-oxadiazole is CC(C)c1nnc(C(F)(F)c2cccc3ccccc23)o1.
What is the InChIKey of 2-[difluoro(naphthalen-1-yl)methyl]-5-propan-2-yl-1,3,4-oxadiazole?
The InChIKey is MTVLBRIPEQBIGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N2O/c1-10(2)14-19-20-15(21-14)16(17,18)13-9-5-7-11-6-3-4-8-12(11)13/h3-10H,1-2H3.
What are the key properties of 2-[difluoro(naphthalen-1-yl)methyl]-5-propan-2-yl-1,3,4-oxadiazole?
2-[difluoro(naphthalen-1-yl)methyl]-5-propan-2-yl-1,3,4-oxadiazole has a molecular weight of 288.30 g/mol, XLogP of 4.49, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[difluoro(naphthalen-1-yl)methyl]-5-propan-2-yl-1,3,4-oxadiazole is sourced from PubChem (CID 170757983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).