4-fluoro-1-N-(1,2,4-oxadiazol-3-ylmethyl)benzene-1,2-diamine

C9H9FN4O — CID 106393220

IUPAC4-fluoro-1-N-(1,2,4-oxadiazol-3-ylmethyl)benzene-1,2-diamine
SMILESNc1cc(F)ccc1NCc1ncon1
InChIInChI=1S/C9H9FN4O/c10-6-1-2-8(7(11)3-6)12-4-9-13-5-15-14-9/h1-3,5,12H,4,11H2
InChIKeyHUWLQKLHVVYZGQ-UHFFFAOYSA-N
MW208.20 g/mol
LogP1.40
Rot. Bonds3

About 4-fluoro-1-N-(1,2,4-oxadiazol-3-ylmethyl)benzene-1,2-diamine

4-fluoro-1-N-(1,2,4-oxadiazol-3-ylmethyl)benzene-1,2-diamine (PubChem CID 106393220) has the molecular formula C9H9FN4O and a molecular weight of 208.20 g/mol. Its IUPAC name is 4-fluoro-1-N-(1,2,4-oxadiazol-3-ylmethyl)benzene-1,2-diamine.

Molecular Properties

Compound Name4-fluoro-1-N-(1,2,4-oxadiazol-3-ylmethyl)benzene-1,2-diamine
PubChem CID106393220
Molecular FormulaC9H9FN4O
Molecular Weight208.20 g/mol
Exact Mass208.08
IUPAC Name4-fluoro-1-N-(1,2,4-oxadiazol-3-ylmethyl)benzene-1,2-diamine
SMILESNc1cc(F)ccc1NCc1ncon1
InChIInChI=1S/C9H9FN4O/c10-6-1-2-8(7(11)3-6)12-4-9-13-5-15-14-9/h1-3,5,12H,4,11H2
InChIKeyHUWLQKLHVVYZGQ-UHFFFAOYSA-N
XLogP1.40
TPSA76.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.20
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-fluoro-1-N-(1,2,4-oxadiazol-3-ylmethyl)benzene-1,2-diamine
CID 106393336
4-ethoxy-5-fluoro-2-N-(1,2,4-oxadiazol-3-ylmethyl)benzene-1,2-diamine
CID 106393343
4-iodo-1-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzene-1,2-diamine
CID 106393935
2-methyl-4-N-(1,2,4-oxadiazol-3-ylmethyl)benzene-1,4-diamine
CID 106393331
1-(2,5-difluorophenyl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine
CID 106393758
2,3-difluoro-4-(1,2,4-oxadiazol-3-ylmethylamino)benzonitrile
CID 114183778
1-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-fluorobenzene-1,2-diamine
CID 79225192
2-(aminomethyl)-5-fluoro-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide
CID 106410838
4-fluoro-1-N-(1H-1,2,4-triazol-5-ylmethyl)benzene-1,2-diamine
CID 64546694
1-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-fluorobenzene-1,2-diamine
CID 114179972
4-amino-N-methyl-3-(1,2,4-oxadiazol-3-ylmethylamino)benzenesulfonamide
CID 106393414
4-fluoro-5-iodo-2-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzene-1,2-diamine
CID 106394130

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-N-(1,2,4-oxadiazol-3-ylmethyl)benzene-1,2-diamine?
The IUPAC name of 4-fluoro-1-N-(1,2,4-oxadiazol-3-ylmethyl)benzene-1,2-diamine (CID 106393220) is 4-fluoro-1-N-(1,2,4-oxadiazol-3-ylmethyl)benzene-1,2-diamine.
What is the SMILES notation for 4-fluoro-1-N-(1,2,4-oxadiazol-3-ylmethyl)benzene-1,2-diamine?
The canonical SMILES for 4-fluoro-1-N-(1,2,4-oxadiazol-3-ylmethyl)benzene-1,2-diamine is Nc1cc(F)ccc1NCc1ncon1.
What is the InChIKey of 4-fluoro-1-N-(1,2,4-oxadiazol-3-ylmethyl)benzene-1,2-diamine?
The InChIKey is HUWLQKLHVVYZGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN4O/c10-6-1-2-8(7(11)3-6)12-4-9-13-5-15-14-9/h1-3,5,12H,4,11H2.
What are the key properties of 4-fluoro-1-N-(1,2,4-oxadiazol-3-ylmethyl)benzene-1,2-diamine?
4-fluoro-1-N-(1,2,4-oxadiazol-3-ylmethyl)benzene-1,2-diamine has a molecular weight of 208.20 g/mol, XLogP of 1.40, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-N-(1,2,4-oxadiazol-3-ylmethyl)benzene-1,2-diamine is sourced from PubChem (CID 106393220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).