4-fluoro-5-iodo-2-N-(1,2-oxazol-5-ylmethyl)benzene-1,2-diamine

C10H9FIN3O — CID 106414559

IUPAC4-fluoro-5-iodo-2-N-(1,2-oxazol-5-ylmethyl)benzene-1,2-diamine
SMILESNc1cc(I)c(F)cc1NCc1ccno1
InChIInChI=1S/C10H9FIN3O/c11-7-3-10(9(13)4-8(7)12)14-5-6-1-2-15-16-6/h1-4,14H,5,13H2
InChIKeyVRHBZFRXQFCNKJ-UHFFFAOYSA-N
MW333.10 g/mol
LogP2.61
Rot. Bonds3

About 4-fluoro-5-iodo-2-N-(1,2-oxazol-5-ylmethyl)benzene-1,2-diamine

4-fluoro-5-iodo-2-N-(1,2-oxazol-5-ylmethyl)benzene-1,2-diamine (PubChem CID 106414559) has the molecular formula C10H9FIN3O and a molecular weight of 333.10 g/mol. Its IUPAC name is 4-fluoro-5-iodo-2-N-(1,2-oxazol-5-ylmethyl)benzene-1,2-diamine.

Molecular Properties

Compound Name4-fluoro-5-iodo-2-N-(1,2-oxazol-5-ylmethyl)benzene-1,2-diamine
PubChem CID106414559
Molecular FormulaC10H9FIN3O
Molecular Weight333.10 g/mol
Exact Mass332.98
IUPAC Name4-fluoro-5-iodo-2-N-(1,2-oxazol-5-ylmethyl)benzene-1,2-diamine
SMILESNc1cc(I)c(F)cc1NCc1ccno1
InChIInChI=1S/C10H9FIN3O/c11-7-3-10(9(13)4-8(7)12)14-5-6-1-2-15-16-6/h1-4,14H,5,13H2
InChIKeyVRHBZFRXQFCNKJ-UHFFFAOYSA-N
XLogP2.61
TPSA64.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.10
LogP ≤ 52.61
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

2-N-[(3,4-difluorophenyl)methyl]-4-fluoro-5-iodobenzene-1,2-diamine
CID 66102255
4-fluoro-5-iodo-2-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzene-1,2-diamine
CID 66100103
4-methyl-1-N-(1,2-oxazol-5-ylmethyl)benzene-1,2-diamine
CID 106414484
4-fluoro-5-iodo-2-N-[(6-methyl-3-pyridinyl)methyl]benzene-1,2-diamine
CID 66100710
4-fluoro-5-iodo-2-N-[(2-methoxy-4-pyridinyl)methyl]benzene-1,2-diamine
CID 66100905
2-N-[(3-bromophenyl)methyl]-4-fluoro-5-iodobenzene-1,2-diamine
CID 66101460
3-amino-4-(1,2-oxazol-5-ylmethylamino)benzamide
CID 106414526
4-[(2-amino-5-fluoro-4-iodoanilino)methyl]benzonitrile
CID 66102073
2-iodo-4-nitro-N-(1,2-oxazol-5-ylmethyl)aniline
CID 106419092
4-fluoro-5-iodo-2-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]benzene-1,2-diamine
CID 66101267
3-methyl-5-N-(1,2-oxazol-5-ylmethyl)isoquinoline-5,8-diamine
CID 106414574
4-fluoro-5-iodo-2-N-[(3-methoxyphenyl)methyl]benzene-1,2-diamine
CID 66099500

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5-iodo-2-N-(1,2-oxazol-5-ylmethyl)benzene-1,2-diamine?
The IUPAC name of 4-fluoro-5-iodo-2-N-(1,2-oxazol-5-ylmethyl)benzene-1,2-diamine (CID 106414559) is 4-fluoro-5-iodo-2-N-(1,2-oxazol-5-ylmethyl)benzene-1,2-diamine.
What is the SMILES notation for 4-fluoro-5-iodo-2-N-(1,2-oxazol-5-ylmethyl)benzene-1,2-diamine?
The canonical SMILES for 4-fluoro-5-iodo-2-N-(1,2-oxazol-5-ylmethyl)benzene-1,2-diamine is Nc1cc(I)c(F)cc1NCc1ccno1.
What is the InChIKey of 4-fluoro-5-iodo-2-N-(1,2-oxazol-5-ylmethyl)benzene-1,2-diamine?
The InChIKey is VRHBZFRXQFCNKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FIN3O/c11-7-3-10(9(13)4-8(7)12)14-5-6-1-2-15-16-6/h1-4,14H,5,13H2.
What are the key properties of 4-fluoro-5-iodo-2-N-(1,2-oxazol-5-ylmethyl)benzene-1,2-diamine?
4-fluoro-5-iodo-2-N-(1,2-oxazol-5-ylmethyl)benzene-1,2-diamine has a molecular weight of 333.10 g/mol, XLogP of 2.61, 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-(1,2-oxazol-5-ylmethyl)benzene-1,2-diamine is sourced from PubChem (CID 106414559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).