2,4-difluoro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]aniline

C10H9F2N3O — CID 110651633

IUPAC2,4-difluoro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]aniline
SMILESCc1nnc(CNc2ccc(F)cc2F)o1
InChIInChI=1S/C10H9F2N3O/c1-6-14-15-10(16-6)5-13-9-3-2-7(11)4-8(9)12/h2-4,13H,5H2,1H3
InChIKeyDUOOTGPDTSAXIE-UHFFFAOYSA-N
MW225.20 g/mol
LogP2.27
Rot. Bonds3

About 2,4-difluoro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]aniline

2,4-difluoro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]aniline (PubChem CID 110651633) has the molecular formula C10H9F2N3O and a molecular weight of 225.20 g/mol. Its IUPAC name is 2,4-difluoro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]aniline.

Molecular Properties

Compound Name2,4-difluoro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]aniline
PubChem CID110651633
Molecular FormulaC10H9F2N3O
Molecular Weight225.20 g/mol
Exact Mass225.07
IUPAC Name2,4-difluoro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]aniline
SMILESCc1nnc(CNc2ccc(F)cc2F)o1
InChIInChI=1S/C10H9F2N3O/c1-6-14-15-10(16-6)5-13-9-3-2-7(11)4-8(9)12/h2-4,13H,5H2,1H3
InChIKeyDUOOTGPDTSAXIE-UHFFFAOYSA-N
XLogP2.27
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.20
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-5-fluoro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]aniline
CID 107914961
4-bromo-2,5-difluoro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]aniline
CID 114015399
2,4-difluoro-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]aniline
CID 18870586
2-[(2,4-difluorophenyl)methyl]-5-methyl-1,3,4-oxadiazole
CID 90396878
2-fluoro-5-methoxy-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]aniline
CID 107914730
3,4,5-trifluoro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]aniline
CID 114015357
2,6-difluoro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]aniline
CID 110651655
N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-methylsulfanylaniline
CID 103604907
4-chloro-3-fluoro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]aniline
CID 107914486
2,4-dimethoxy-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]aniline
CID 110651599
4-fluoro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-(trifluoromethyl)aniline
CID 107914458
2,3,4,5,6-pentafluoro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]aniline
CID 107914791

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]aniline?
The IUPAC name of 2,4-difluoro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]aniline (CID 110651633) is 2,4-difluoro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]aniline.
What is the SMILES notation for 2,4-difluoro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]aniline?
The canonical SMILES for 2,4-difluoro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]aniline is Cc1nnc(CNc2ccc(F)cc2F)o1.
What is the InChIKey of 2,4-difluoro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]aniline?
The InChIKey is DUOOTGPDTSAXIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2N3O/c1-6-14-15-10(16-6)5-13-9-3-2-7(11)4-8(9)12/h2-4,13H,5H2,1H3.
What are the key properties of 2,4-difluoro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]aniline?
2,4-difluoro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]aniline has a molecular weight of 225.20 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]aniline is sourced from PubChem (CID 110651633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).