N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-iodo-5-nitrobenzamide

C12H10IN3O4 — CID 65486427

IUPACN-(3,4-dimethyl-1,2-oxazol-5-yl)-2-iodo-5-nitrobenzamide
SMILESCc1noc(NC(=O)c2cc([N+](=O)[O-])ccc2I)c1C
InChIInChI=1S/C12H10IN3O4/c1-6-7(2)15-20-12(6)14-11(17)9-5-8(16(18)19)3-4-10(9)13/h3-5H,1-2H3,(H,14,17)
InChIKeyWNZZJBZIRQCJRT-UHFFFAOYSA-N
MW387.13 g/mol
LogP3.06
Rot. Bonds3

About N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-iodo-5-nitrobenzamide

N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-iodo-5-nitrobenzamide (PubChem CID 65486427) has the molecular formula C12H10IN3O4 and a molecular weight of 387.13 g/mol. Its IUPAC name is N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-iodo-5-nitrobenzamide.

Molecular Properties

Compound NameN-(3,4-dimethyl-1,2-oxazol-5-yl)-2-iodo-5-nitrobenzamide
PubChem CID65486427
Molecular FormulaC12H10IN3O4
Molecular Weight387.13 g/mol
Exact Mass386.97
IUPAC NameN-(3,4-dimethyl-1,2-oxazol-5-yl)-2-iodo-5-nitrobenzamide
SMILESCc1noc(NC(=O)c2cc([N+](=O)[O-])ccc2I)c1C
InChIInChI=1S/C12H10IN3O4/c1-6-7(2)15-20-12(6)14-11(17)9-5-8(16(18)19)3-4-10(9)13/h3-5H,1-2H3,(H,14,17)
InChIKeyWNZZJBZIRQCJRT-UHFFFAOYSA-N
XLogP3.06
TPSA98.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.13
LogP ≤ 53.06
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

2-iodo-5-nitro-N-(2,4,6-trimethyl-3-pyridinyl)benzamide
CID 78874217
2-iodo-N-(4-methyl-3-pyridinyl)-5-nitrobenzamide
CID 63327531
2-iodo-N-(4-iodophenyl)-5-nitrobenzamide
CID 38888111
N-(5-fluoro-2-methylphenyl)-2-iodo-5-nitrobenzamide
CID 38898747
2-iodo-5-nitro-N-(thiadiazol-5-yl)benzamide
CID 114912062
methyl 3-[(2-iodo-5-nitrobenzoyl)amino]-2-methylbenzoate
CID 78904302
2-iodo-5-nitro-N-(3-nitrophenyl)benzamide
CID 38925983
2-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-methylbenzamide
CID 65486415
N-(3-acetamidophenyl)-2-iodo-5-nitrobenzamide
CID 38887087
2-iodo-N-(4-methyloxan-4-yl)-5-nitrobenzamide
CID 115759649
2-iodo-N-(1-methyl-6-oxo-3-pyridinyl)-5-nitrobenzamide
CID 61041820
N-(2-chloro-6-methylphenyl)-2-iodo-5-nitrobenzamide
CID 66255521

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-iodo-5-nitrobenzamide?
The IUPAC name of N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-iodo-5-nitrobenzamide (CID 65486427) is N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-iodo-5-nitrobenzamide.
What is the SMILES notation for N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-iodo-5-nitrobenzamide?
The canonical SMILES for N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-iodo-5-nitrobenzamide is Cc1noc(NC(=O)c2cc([N+](=O)[O-])ccc2I)c1C.
What is the InChIKey of N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-iodo-5-nitrobenzamide?
The InChIKey is WNZZJBZIRQCJRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10IN3O4/c1-6-7(2)15-20-12(6)14-11(17)9-5-8(16(18)19)3-4-10(9)13/h3-5H,1-2H3,(H,14,17).
What are the key properties of N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-iodo-5-nitrobenzamide?
N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-iodo-5-nitrobenzamide has a molecular weight of 387.13 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-iodo-5-nitrobenzamide is sourced from PubChem (CID 65486427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).