2-N-(4-fluoro-2-methoxyphenyl)-1,3,4-oxadiazole-2,5-diamine

C9H9FN4O2 — CID 103436829

IUPAC2-N-(4-fluoro-2-methoxyphenyl)-1,3,4-oxadiazole-2,5-diamine
SMILESCOc1cc(F)ccc1Nc1nnc(N)o1
InChIInChI=1S/C9H9FN4O2/c1-15-7-4-5(10)2-3-6(7)12-9-14-13-8(11)16-9/h2-4H,1H3,(H2,11,13)(H,12,14)
InChIKeyZIDMOGMCCOIHCY-UHFFFAOYSA-N
MW224.20 g/mol
LogP1.54
Rot. Bonds3

About 2-N-(4-fluoro-2-methoxyphenyl)-1,3,4-oxadiazole-2,5-diamine

2-N-(4-fluoro-2-methoxyphenyl)-1,3,4-oxadiazole-2,5-diamine (PubChem CID 103436829) has the molecular formula C9H9FN4O2 and a molecular weight of 224.20 g/mol. Its IUPAC name is 2-N-(4-fluoro-2-methoxyphenyl)-1,3,4-oxadiazole-2,5-diamine.

Molecular Properties

Compound Name2-N-(4-fluoro-2-methoxyphenyl)-1,3,4-oxadiazole-2,5-diamine
PubChem CID103436829
Molecular FormulaC9H9FN4O2
Molecular Weight224.20 g/mol
Exact Mass224.07
IUPAC Name2-N-(4-fluoro-2-methoxyphenyl)-1,3,4-oxadiazole-2,5-diamine
SMILESCOc1cc(F)ccc1Nc1nnc(N)o1
InChIInChI=1S/C9H9FN4O2/c1-15-7-4-5(10)2-3-6(7)12-9-14-13-8(11)16-9/h2-4H,1H3,(H2,11,13)(H,12,14)
InChIKeyZIDMOGMCCOIHCY-UHFFFAOYSA-N
XLogP1.54
TPSA86.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.20
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-(5-bromo-2-methoxyphenyl)-1,3,4-oxadiazole-2,5-diamine
CID 103436922
2-N-(4-methoxy-3-methylphenyl)-1,3,4-oxadiazole-2,5-diamine
CID 103436739
4-N-(4-fluoro-2-methoxyphenyl)-2-methoxybenzene-1,4-diamine
CID 55234359
(4-fluoro-2-methoxyphenyl)hydrazine;hydrochloride
CID 118988799
N-(4-fluoro-2-methoxyphenyl)-6-hydrazinylpyridin-2-amine
CID 80904650
4-bromo-5-fluoro-1-N-(4-fluoro-2-methoxyphenyl)benzene-1,2-diamine
CID 66111706
2-N-(2,3-difluorophenyl)-1,3,4-oxadiazole-2,5-diamine
CID 103436713
3-(4-fluoro-2-methoxyanilino)pyridine-4-carbothioamide
CID 114288348
3-bromo-2-N-(4-fluoro-2-methoxyphenyl)-4-methylpyridine-2,5-diamine
CID 104506600
2-N-(2,5-diethoxyphenyl)-1,3,4-oxadiazole-2,5-diamine
CID 103436471
2-N-[(3,4-dimethoxyphenyl)methyl]-1,3,4-oxadiazole-2,5-diamine
CID 103436661
4-N-(4-fluoro-2-methoxyphenyl)-2-propylpyrimidine-4,6-diamine
CID 80954383

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-fluoro-2-methoxyphenyl)-1,3,4-oxadiazole-2,5-diamine?
The IUPAC name of 2-N-(4-fluoro-2-methoxyphenyl)-1,3,4-oxadiazole-2,5-diamine (CID 103436829) is 2-N-(4-fluoro-2-methoxyphenyl)-1,3,4-oxadiazole-2,5-diamine.
What is the SMILES notation for 2-N-(4-fluoro-2-methoxyphenyl)-1,3,4-oxadiazole-2,5-diamine?
The canonical SMILES for 2-N-(4-fluoro-2-methoxyphenyl)-1,3,4-oxadiazole-2,5-diamine is COc1cc(F)ccc1Nc1nnc(N)o1.
What is the InChIKey of 2-N-(4-fluoro-2-methoxyphenyl)-1,3,4-oxadiazole-2,5-diamine?
The InChIKey is ZIDMOGMCCOIHCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN4O2/c1-15-7-4-5(10)2-3-6(7)12-9-14-13-8(11)16-9/h2-4H,1H3,(H2,11,13)(H,12,14).
What are the key properties of 2-N-(4-fluoro-2-methoxyphenyl)-1,3,4-oxadiazole-2,5-diamine?
2-N-(4-fluoro-2-methoxyphenyl)-1,3,4-oxadiazole-2,5-diamine has a molecular weight of 224.20 g/mol, XLogP of 1.54, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-fluoro-2-methoxyphenyl)-1,3,4-oxadiazole-2,5-diamine is sourced from PubChem (CID 103436829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).