2-iodo-N-[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]acetamide

C12H11IN2O3 — CID 13362982

IUPAC2-iodo-N-[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]acetamide
SMILESCOc1ccc(-c2cc(NC(=O)CI)on2)cc1
InChIInChI=1S/C12H11IN2O3/c1-17-9-4-2-8(3-5-9)10-6-12(18-15-10)14-11(16)7-13/h2-6H,7H2,1H3,(H,14,16)
InChIKeyWKSHRHBDMMFZEH-UHFFFAOYSA-N
MW358.14 g/mol
LogP2.72
Rot. Bonds4

About 2-iodo-N-[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]acetamide

2-iodo-N-[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]acetamide (PubChem CID 13362982) has the molecular formula C12H11IN2O3 and a molecular weight of 358.14 g/mol. Its IUPAC name is 2-iodo-N-[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]acetamide.

Molecular Properties

Compound Name2-iodo-N-[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]acetamide
PubChem CID13362982
Molecular FormulaC12H11IN2O3
Molecular Weight358.14 g/mol
Exact Mass357.98
IUPAC Name2-iodo-N-[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]acetamide
SMILESCOc1ccc(-c2cc(NC(=O)CI)on2)cc1
InChIInChI=1S/C12H11IN2O3/c1-17-9-4-2-8(3-5-9)10-6-12(18-15-10)14-11(16)7-13/h2-6H,7H2,1H3,(H,14,16)
InChIKeyWKSHRHBDMMFZEH-UHFFFAOYSA-N
XLogP2.72
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.14
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 7517994
ethyl-[2-(4-methoxyanilino)-2-oxoethyl]-[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]azanium
CID 9348413
2-(4-methoxyphenyl)-N-(3-pyridin-3-yl-1,2-oxazol-5-yl)acetamide
CID 53143050
[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl] 3-methoxybenzoate
CID 7594594
3-(4-methoxyphenyl)-N-(3-thiophen-3-yl-1,2-oxazol-5-yl)propanamide
CID 53143269
methyl N-[3-(4-propoxyphenyl)-1,2-oxazol-5-yl]carbamate
CID 174638480
[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl carbamate
CID 46892996
N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-3-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide
CID 56544663
3-(4-methoxyphenyl)-N-[3-(5-methylthiophen-2-yl)-1,2-oxazol-5-yl]propanamide
CID 53143342
2-(3,5-dimethoxyphenyl)-N-(3-thiophen-3-yl-1,2-oxazol-5-yl)acetamide
CID 53143312
2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]acetamide
CID 9348036
2-(4-tert-butylphenoxy)-N-(3-phenyl-1,2-oxazol-5-yl)acetamide
CID 17013529

Frequently Asked Questions

What is the IUPAC name of 2-iodo-N-[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]acetamide?
The IUPAC name of 2-iodo-N-[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]acetamide (CID 13362982) is 2-iodo-N-[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]acetamide.
What is the SMILES notation for 2-iodo-N-[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]acetamide?
The canonical SMILES for 2-iodo-N-[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]acetamide is COc1ccc(-c2cc(NC(=O)CI)on2)cc1.
What is the InChIKey of 2-iodo-N-[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]acetamide?
The InChIKey is WKSHRHBDMMFZEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11IN2O3/c1-17-9-4-2-8(3-5-9)10-6-12(18-15-10)14-11(16)7-13/h2-6H,7H2,1H3,(H,14,16).
What are the key properties of 2-iodo-N-[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]acetamide?
2-iodo-N-[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]acetamide has a molecular weight of 358.14 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-N-[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]acetamide is sourced from PubChem (CID 13362982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).