5-(4-chloro-2-nitrophenyl)-4-iodo-1,2-oxazol-3-amine

C9H5ClIN3O3 — CID 79556466

IUPAC5-(4-chloro-2-nitrophenyl)-4-iodo-1,2-oxazol-3-amine
SMILESNc1noc(-c2ccc(Cl)cc2[N+](=O)[O-])c1I
InChIInChI=1S/C9H5ClIN3O3/c10-4-1-2-5(6(3-4)14(15)16)8-7(11)9(12)13-17-8/h1-3H,(H2,12,13)
InChIKeyPDSGFNJUMGCXNS-UHFFFAOYSA-N
MW365.51 g/mol
LogP3.09
Rot. Bonds2

About 5-(4-chloro-2-nitrophenyl)-4-iodo-1,2-oxazol-3-amine

5-(4-chloro-2-nitrophenyl)-4-iodo-1,2-oxazol-3-amine (PubChem CID 79556466) has the molecular formula C9H5ClIN3O3 and a molecular weight of 365.51 g/mol. Its IUPAC name is 5-(4-chloro-2-nitrophenyl)-4-iodo-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(4-chloro-2-nitrophenyl)-4-iodo-1,2-oxazol-3-amine
PubChem CID79556466
Molecular FormulaC9H5ClIN3O3
Molecular Weight365.51 g/mol
Exact Mass364.91
IUPAC Name5-(4-chloro-2-nitrophenyl)-4-iodo-1,2-oxazol-3-amine
SMILESNc1noc(-c2ccc(Cl)cc2[N+](=O)[O-])c1I
InChIInChI=1S/C9H5ClIN3O3/c10-4-1-2-5(6(3-4)14(15)16)8-7(11)9(12)13-17-8/h1-3H,(H2,12,13)
InChIKeyPDSGFNJUMGCXNS-UHFFFAOYSA-N
XLogP3.09
TPSA95.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.51
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-(2,4-dichlorophenyl)-4-iodo-1,2-oxazol-3-amine
CID 79555967
2-[5-(4-chloro-2-nitrophenyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 61335484
5-(4-chloro-2-nitrophenyl)-1,3,4-oxadiazol-2-amine
CID 43148001
4-chloro-2-nitroaniline
CID 6979
5-(4-fluoronaphthalen-1-yl)-4-iodo-1,2-oxazol-3-amine
CID 114088309
5-(4-chloro-2-nitrophenyl)-1-methyltetrazole
CID 117063952
5-(2-chlorofuran-3-yl)-4-iodo-1,2-oxazol-3-amine
CID 106690691
4-chloro-1-(2-chlorophenyl)-2-nitrobenzene
CID 175258433
5-(4,5-difluoro-2-nitrophenyl)-4-ethyl-1,2-oxazol-3-amine
CID 66198036
4-chloro-2-nitro-1-(4-phenylphenyl)benzene
CID 153490333
4-chloro-5-(2-chloro-6-nitrophenyl)-1,2-oxazol-3-amine
CID 79557797
[4-tert-butyl-5-(4-chloro-2-nitrophenyl)-1,2,4-triazol-3-yl]methanamine
CID 115944100

Frequently Asked Questions

What is the IUPAC name of 5-(4-chloro-2-nitrophenyl)-4-iodo-1,2-oxazol-3-amine?
The IUPAC name of 5-(4-chloro-2-nitrophenyl)-4-iodo-1,2-oxazol-3-amine (CID 79556466) is 5-(4-chloro-2-nitrophenyl)-4-iodo-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(4-chloro-2-nitrophenyl)-4-iodo-1,2-oxazol-3-amine?
The canonical SMILES for 5-(4-chloro-2-nitrophenyl)-4-iodo-1,2-oxazol-3-amine is Nc1noc(-c2ccc(Cl)cc2[N+](=O)[O-])c1I.
What is the InChIKey of 5-(4-chloro-2-nitrophenyl)-4-iodo-1,2-oxazol-3-amine?
The InChIKey is PDSGFNJUMGCXNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClIN3O3/c10-4-1-2-5(6(3-4)14(15)16)8-7(11)9(12)13-17-8/h1-3H,(H2,12,13).
What are the key properties of 5-(4-chloro-2-nitrophenyl)-4-iodo-1,2-oxazol-3-amine?
5-(4-chloro-2-nitrophenyl)-4-iodo-1,2-oxazol-3-amine has a molecular weight of 365.51 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloro-2-nitrophenyl)-4-iodo-1,2-oxazol-3-amine is sourced from PubChem (CID 79556466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).