2-iodo-3-methyl-N-(1,2-oxazol-3-ylmethyl)benzamide

C12H11IN2O2 — CID 103721254

IUPAC2-iodo-3-methyl-N-(1,2-oxazol-3-ylmethyl)benzamide
SMILESCc1cccc(C(=O)NCc2ccon2)c1I
InChIInChI=1S/C12H11IN2O2/c1-8-3-2-4-10(11(8)13)12(16)14-7-9-5-6-17-15-9/h2-6H,7H2,1H3,(H,14,16)
InChIKeyBSWSNTYAIODAPW-UHFFFAOYSA-N
MW342.14 g/mol
LogP2.52
Rot. Bonds3

About 2-iodo-3-methyl-N-(1,2-oxazol-3-ylmethyl)benzamide

2-iodo-3-methyl-N-(1,2-oxazol-3-ylmethyl)benzamide (PubChem CID 103721254) has the molecular formula C12H11IN2O2 and a molecular weight of 342.14 g/mol. Its IUPAC name is 2-iodo-3-methyl-N-(1,2-oxazol-3-ylmethyl)benzamide.

Molecular Properties

Compound Name2-iodo-3-methyl-N-(1,2-oxazol-3-ylmethyl)benzamide
PubChem CID103721254
Molecular FormulaC12H11IN2O2
Molecular Weight342.14 g/mol
Exact Mass341.99
IUPAC Name2-iodo-3-methyl-N-(1,2-oxazol-3-ylmethyl)benzamide
SMILESCc1cccc(C(=O)NCc2ccon2)c1I
InChIInChI=1S/C12H11IN2O2/c1-8-3-2-4-10(11(8)13)12(16)14-7-9-5-6-17-15-9/h2-6H,7H2,1H3,(H,14,16)
InChIKeyBSWSNTYAIODAPW-UHFFFAOYSA-N
XLogP2.52
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.14
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-2-(1,2-oxazol-3-ylmethylcarbamoylamino)benzoic acid
CID 81177115
2-amino-3-chloro-N-(1,2-oxazol-3-ylmethyl)benzamide
CID 113331820
N-ethyl-2-iodo-3-methylbenzamide
CID 69076024
5-bromo-2-iodo-N-(1,2-oxazol-3-ylmethyl)benzamide
CID 103721244
3-chloro-2-nitro-N-(1,2-oxazol-3-ylmethyl)benzamide
CID 79833326
2,4-dihydroxy-N-(1,2-oxazol-3-ylmethyl)benzamide
CID 103721251
4-fluoro-3-methyl-N-(1,2-oxazol-3-ylmethyl)benzamide
CID 79487393
ethyl 2-[(2-iodo-3-methylbenzoyl)amino]acetate
CID 47329540
2-iodo-3-methyl-N-[2-methyl-3-(methylamino)propyl]benzamide
CID 113265693
N-[2-(dimethylamino)propyl]-2-iodo-3-methylbenzamide
CID 51081725
3-hydroxy-4-iodo-N-(1,2-oxazol-3-ylmethyl)benzamide
CID 104629295
2-hydroxy-4-methoxy-N-(1,2-oxazol-3-ylmethyl)benzamide
CID 79486904

Frequently Asked Questions

What is the IUPAC name of 2-iodo-3-methyl-N-(1,2-oxazol-3-ylmethyl)benzamide?
The IUPAC name of 2-iodo-3-methyl-N-(1,2-oxazol-3-ylmethyl)benzamide (CID 103721254) is 2-iodo-3-methyl-N-(1,2-oxazol-3-ylmethyl)benzamide.
What is the SMILES notation for 2-iodo-3-methyl-N-(1,2-oxazol-3-ylmethyl)benzamide?
The canonical SMILES for 2-iodo-3-methyl-N-(1,2-oxazol-3-ylmethyl)benzamide is Cc1cccc(C(=O)NCc2ccon2)c1I.
What is the InChIKey of 2-iodo-3-methyl-N-(1,2-oxazol-3-ylmethyl)benzamide?
The InChIKey is BSWSNTYAIODAPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11IN2O2/c1-8-3-2-4-10(11(8)13)12(16)14-7-9-5-6-17-15-9/h2-6H,7H2,1H3,(H,14,16).
What are the key properties of 2-iodo-3-methyl-N-(1,2-oxazol-3-ylmethyl)benzamide?
2-iodo-3-methyl-N-(1,2-oxazol-3-ylmethyl)benzamide has a molecular weight of 342.14 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-3-methyl-N-(1,2-oxazol-3-ylmethyl)benzamide is sourced from PubChem (CID 103721254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).