4-fluoro-5-iodo-2-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzene-1,2-diamine

C11H11FIN3O — CID 66100103

IUPAC4-fluoro-5-iodo-2-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzene-1,2-diamine
SMILESCc1cc(CNc2cc(F)c(I)cc2N)no1
InChIInChI=1S/C11H11FIN3O/c1-6-2-7(16-17-6)5-15-11-3-8(12)9(13)4-10(11)14/h2-4,15H,5,14H2,1H3
InChIKeyWTFMQRJBTZWKTB-UHFFFAOYSA-N
MW347.13 g/mol
LogP2.92
Rot. Bonds3

About 4-fluoro-5-iodo-2-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzene-1,2-diamine

4-fluoro-5-iodo-2-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzene-1,2-diamine (PubChem CID 66100103) has the molecular formula C11H11FIN3O and a molecular weight of 347.13 g/mol. Its IUPAC name is 4-fluoro-5-iodo-2-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzene-1,2-diamine.

Molecular Properties

Compound Name4-fluoro-5-iodo-2-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzene-1,2-diamine
PubChem CID66100103
Molecular FormulaC11H11FIN3O
Molecular Weight347.13 g/mol
Exact Mass346.99
IUPAC Name4-fluoro-5-iodo-2-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzene-1,2-diamine
SMILESCc1cc(CNc2cc(F)c(I)cc2N)no1
InChIInChI=1S/C11H11FIN3O/c1-6-2-7(16-17-6)5-15-11-3-8(12)9(13)4-10(11)14/h2-4,15H,5,14H2,1H3
InChIKeyWTFMQRJBTZWKTB-UHFFFAOYSA-N
XLogP2.92
TPSA64.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.13
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-5-fluoro-1-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzene-1,2-diamine
CID 66109553
4-fluoro-5-iodo-2-N-(1,2-oxazol-5-ylmethyl)benzene-1,2-diamine
CID 106414559
4-fluoro-5-iodo-2-N-[(6-methyl-3-pyridinyl)methyl]benzene-1,2-diamine
CID 66100710
5-fluoro-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-2,4-diamine
CID 80814214
5-iodo-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidin-2-amine
CID 104841408
2-N-[(3,4-difluorophenyl)methyl]-4-fluoro-5-iodobenzene-1,2-diamine
CID 66102255
4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-4,5-diamine
CID 79917521
4-methyl-2-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridine-2,5-diamine
CID 79175930
(5-methyl-1,2-oxazol-3-yl)methylhydrazine
CID 66157923
2-N-(2,3-dimethylbutyl)-4-fluoro-5-iodobenzene-1,2-diamine
CID 66101509
3,5-difluoro-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridin-2-amine
CID 112675783
4-fluoro-5-iodo-2-N-[(2-methoxy-4-pyridinyl)methyl]benzene-1,2-diamine
CID 66100905

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5-iodo-2-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzene-1,2-diamine?
The IUPAC name of 4-fluoro-5-iodo-2-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzene-1,2-diamine (CID 66100103) is 4-fluoro-5-iodo-2-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzene-1,2-diamine.
What is the SMILES notation for 4-fluoro-5-iodo-2-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzene-1,2-diamine?
The canonical SMILES for 4-fluoro-5-iodo-2-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzene-1,2-diamine is Cc1cc(CNc2cc(F)c(I)cc2N)no1.
What is the InChIKey of 4-fluoro-5-iodo-2-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzene-1,2-diamine?
The InChIKey is WTFMQRJBTZWKTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FIN3O/c1-6-2-7(16-17-6)5-15-11-3-8(12)9(13)4-10(11)14/h2-4,15H,5,14H2,1H3.
What are the key properties of 4-fluoro-5-iodo-2-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzene-1,2-diamine?
4-fluoro-5-iodo-2-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzene-1,2-diamine has a molecular weight of 347.13 g/mol, XLogP of 2.92, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5-iodo-2-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzene-1,2-diamine is sourced from PubChem (CID 66100103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).