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

C11H12F2N4O — CID 106414003

IUPAC3,5-difluoro-1-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzene-1,2-diamine
SMILESCc1nc(CCNc2cc(F)cc(F)c2N)no1
InChIInChI=1S/C11H12F2N4O/c1-6-16-10(17-18-6)2-3-15-9-5-7(12)4-8(13)11(9)14/h4-5,15H,2-3,14H2,1H3
InChIKeyCYXUZFYWZPVJDE-UHFFFAOYSA-N
MW254.24 g/mol
LogP1.89
Rot. Bonds4

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

3,5-difluoro-1-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzene-1,2-diamine (PubChem CID 106414003) has the molecular formula C11H12F2N4O and a molecular weight of 254.24 g/mol. Its IUPAC name is 3,5-difluoro-1-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzene-1,2-diamine.

Molecular Properties

Compound Name3,5-difluoro-1-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzene-1,2-diamine
PubChem CID106414003
Molecular FormulaC11H12F2N4O
Molecular Weight254.24 g/mol
Exact Mass254.10
IUPAC Name3,5-difluoro-1-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzene-1,2-diamine
SMILESCc1nc(CCNc2cc(F)cc(F)c2N)no1
InChIInChI=1S/C11H12F2N4O/c1-6-16-10(17-18-6)2-3-15-9-5-7(12)4-8(13)11(9)14/h4-5,15H,2-3,14H2,1H3
InChIKeyCYXUZFYWZPVJDE-UHFFFAOYSA-N
XLogP1.89
TPSA76.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.24
LogP ≤ 51.89
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

3,5-difluoro-1-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzene-1,2-diamine
CID 106394020
3,5-difluoro-6-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-2,6-diamine
CID 106424233
3,5-difluoro-1-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzene-1,2-diamine
CID 106393672
3-fluoro-4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]benzenecarbothioamide
CID 106418060
5-fluoro-2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]benzenecarbothioamide
CID 106418026
5-methyl-3-[(2,4,6-trifluorophenyl)methyl]-1,2,4-oxadiazole
CID 143220608
3-amino-4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]benzonitrile
CID 114185745
4-amino-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]benzonitrile
CID 106414035
4-methyl-2-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-2,5-diamine
CID 106413974
3-amino-2,4-difluoro-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide
CID 106413593
5-amino-2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]benzoic acid
CID 106422577
5-amino-2-fluoro-4-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide
CID 106413667

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-1-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzene-1,2-diamine?
The IUPAC name of 3,5-difluoro-1-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzene-1,2-diamine (CID 106414003) is 3,5-difluoro-1-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzene-1,2-diamine.
What is the SMILES notation for 3,5-difluoro-1-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzene-1,2-diamine?
The canonical SMILES for 3,5-difluoro-1-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzene-1,2-diamine is Cc1nc(CCNc2cc(F)cc(F)c2N)no1.
What is the InChIKey of 3,5-difluoro-1-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzene-1,2-diamine?
The InChIKey is CYXUZFYWZPVJDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2N4O/c1-6-16-10(17-18-6)2-3-15-9-5-7(12)4-8(13)11(9)14/h4-5,15H,2-3,14H2,1H3.
What are the key properties of 3,5-difluoro-1-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzene-1,2-diamine?
3,5-difluoro-1-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzene-1,2-diamine has a molecular weight of 254.24 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-1-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzene-1,2-diamine is sourced from PubChem (CID 106414003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).