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

C11H12FN3O2 — CID 107914730

IUPAC2-fluoro-5-methoxy-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]aniline
SMILESCOc1ccc(F)c(NCc2nnc(C)o2)c1
InChIInChI=1S/C11H12FN3O2/c1-7-14-15-11(17-7)6-13-10-5-8(16-2)3-4-9(10)12/h3-5,13H,6H2,1-2H3
InChIKeyBPYAXHBEKPHYLU-UHFFFAOYSA-N
MW237.23 g/mol
LogP2.14
Rot. Bonds4

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

2-fluoro-5-methoxy-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]aniline (PubChem CID 107914730) has the molecular formula C11H12FN3O2 and a molecular weight of 237.23 g/mol. Its IUPAC name is 2-fluoro-5-methoxy-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]aniline.

Molecular Properties

Compound Name2-fluoro-5-methoxy-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]aniline
PubChem CID107914730
Molecular FormulaC11H12FN3O2
Molecular Weight237.23 g/mol
Exact Mass237.09
IUPAC Name2-fluoro-5-methoxy-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]aniline
SMILESCOc1ccc(F)c(NCc2nnc(C)o2)c1
InChIInChI=1S/C11H12FN3O2/c1-7-14-15-11(17-7)6-13-10-5-8(16-2)3-4-9(10)12/h3-5,13H,6H2,1-2H3
InChIKeyBPYAXHBEKPHYLU-UHFFFAOYSA-N
XLogP2.14
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.23
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-dimethoxy-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]aniline
CID 110651599
4-bromo-2,5-difluoro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]aniline
CID 114015399
2,4-difluoro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]aniline
CID 110651633
2-fluoro-5-methoxy-N-[(2-methyltetrazol-5-yl)methyl]aniline
CID 107042537
2-bromo-5-fluoro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]aniline
CID 107914961
2-fluoro-5-methoxy-N-[(2-methyl-3-pyridinyl)methyl]aniline
CID 75482762
2,6-difluoro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]aniline
CID 110651655
3,4,5-trifluoro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]aniline
CID 114015357
3-bromo-5-methoxy-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]aniline
CID 114015385
4-fluoro-N-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-methylaniline
CID 75380556
4-fluoro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-(trifluoromethyl)aniline
CID 107914458
2-fluoro-N-[(4-methoxyphenyl)methyl]-5-methylaniline
CID 28968417

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-methoxy-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]aniline?
The IUPAC name of 2-fluoro-5-methoxy-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]aniline (CID 107914730) is 2-fluoro-5-methoxy-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]aniline.
What is the SMILES notation for 2-fluoro-5-methoxy-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]aniline?
The canonical SMILES for 2-fluoro-5-methoxy-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]aniline is COc1ccc(F)c(NCc2nnc(C)o2)c1.
What is the InChIKey of 2-fluoro-5-methoxy-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]aniline?
The InChIKey is BPYAXHBEKPHYLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O2/c1-7-14-15-11(17-7)6-13-10-5-8(16-2)3-4-9(10)12/h3-5,13H,6H2,1-2H3.
What are the key properties of 2-fluoro-5-methoxy-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]aniline?
2-fluoro-5-methoxy-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]aniline has a molecular weight of 237.23 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-methoxy-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]aniline is sourced from PubChem (CID 107914730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).