2-[(2,4-difluorophenyl)methyl]-5-methyl-1,3,4-oxadiazole

C10H8F2N2O — CID 90396878

IUPAC2-[(2,4-difluorophenyl)methyl]-5-methyl-1,3,4-oxadiazole
SMILESCc1nnc(Cc2ccc(F)cc2F)o1
InChIInChI=1S/C10H8F2N2O/c1-6-13-14-10(15-6)4-7-2-3-8(11)5-9(7)12/h2-3,5H,4H2,1H3
InChIKeyKMBFAUVOLFCZIB-UHFFFAOYSA-N
MW210.18 g/mol
LogP2.25
Rot. Bonds2

About 2-[(2,4-difluorophenyl)methyl]-5-methyl-1,3,4-oxadiazole

2-[(2,4-difluorophenyl)methyl]-5-methyl-1,3,4-oxadiazole (PubChem CID 90396878) has the molecular formula C10H8F2N2O and a molecular weight of 210.18 g/mol. Its IUPAC name is 2-[(2,4-difluorophenyl)methyl]-5-methyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(2,4-difluorophenyl)methyl]-5-methyl-1,3,4-oxadiazole
PubChem CID90396878
Molecular FormulaC10H8F2N2O
Molecular Weight210.18 g/mol
Exact Mass210.06
IUPAC Name2-[(2,4-difluorophenyl)methyl]-5-methyl-1,3,4-oxadiazole
SMILESCc1nnc(Cc2ccc(F)cc2F)o1
InChIInChI=1S/C10H8F2N2O/c1-6-13-14-10(15-6)4-7-2-3-8(11)5-9(7)12/h2-3,5H,4H2,1H3
InChIKeyKMBFAUVOLFCZIB-UHFFFAOYSA-N
XLogP2.25
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.18
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-butan-2-yl-5-[(2,4-difluorophenyl)methyl]-1,3,4-oxadiazole
CID 130255049
2,4-difluoro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]aniline
CID 110651633
2-[(4-fluorophenyl)sulfinylmethyl]-5-methyl-1,3,4-oxadiazole
CID 64716915
2-bromo-5-fluoro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]aniline
CID 107914961
N-[(4-fluoro-2-methylphenyl)methyl]-5-methyl-1,3,4-oxadiazol-2-amine
CID 115924781
3,4,5-trifluoro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]aniline
CID 114015357
5-[(tert-butylamino)methyl]-N-[(2,4-difluorophenyl)methyl]-1,3,4-oxadiazol-2-amine
CID 106960385
N-[(2-chloro-5-fluorophenyl)methyl]-2-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]propan-2-amine
CID 100642221
2-[(2,4-difluorophenyl)methyl]-1,3-oxazole-4-carboxamide
CID 118471832
(1R)-1-(4-fluorophenyl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine
CID 114015374
2,6-difluoro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]aniline
CID 110651655
4-[(2,4-difluorophenyl)methyl]-2-methyl-1H-pyrrole
CID 90396848

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-difluorophenyl)methyl]-5-methyl-1,3,4-oxadiazole?
The IUPAC name of 2-[(2,4-difluorophenyl)methyl]-5-methyl-1,3,4-oxadiazole (CID 90396878) is 2-[(2,4-difluorophenyl)methyl]-5-methyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(2,4-difluorophenyl)methyl]-5-methyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[(2,4-difluorophenyl)methyl]-5-methyl-1,3,4-oxadiazole is Cc1nnc(Cc2ccc(F)cc2F)o1.
What is the InChIKey of 2-[(2,4-difluorophenyl)methyl]-5-methyl-1,3,4-oxadiazole?
The InChIKey is KMBFAUVOLFCZIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F2N2O/c1-6-13-14-10(15-6)4-7-2-3-8(11)5-9(7)12/h2-3,5H,4H2,1H3.
What are the key properties of 2-[(2,4-difluorophenyl)methyl]-5-methyl-1,3,4-oxadiazole?
2-[(2,4-difluorophenyl)methyl]-5-methyl-1,3,4-oxadiazole has a molecular weight of 210.18 g/mol, XLogP of 2.25, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-difluorophenyl)methyl]-5-methyl-1,3,4-oxadiazole is sourced from PubChem (CID 90396878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).