(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-[(2-iodobenzoyl)amino]acetate

C15H15IN2O4 — CID 7229283

IUPAC(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-[(2-iodobenzoyl)amino]acetate
SMILESCc1noc(C)c1COC(=O)CNC(=O)c1ccccc1I
InChIInChI=1S/C15H15IN2O4/c1-9-12(10(2)22-18-9)8-21-14(19)7-17-15(20)11-5-3-4-6-13(11)16/h3-6H,7-8H2,1-2H3,(H,17,20)
InChIKeyOUZGRXAADMIXNB-UHFFFAOYSA-N
MW414.20 g/mol
LogP2.37
Rot. Bonds5

About (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-[(2-iodobenzoyl)amino]acetate

(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-[(2-iodobenzoyl)amino]acetate (PubChem CID 7229283) has the molecular formula C15H15IN2O4 and a molecular weight of 414.20 g/mol. Its IUPAC name is (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-[(2-iodobenzoyl)amino]acetate.

Molecular Properties

Compound Name(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-[(2-iodobenzoyl)amino]acetate
PubChem CID7229283
Molecular FormulaC15H15IN2O4
Molecular Weight414.20 g/mol
Exact Mass414.01
IUPAC Name(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-[(2-iodobenzoyl)amino]acetate
SMILESCc1noc(C)c1COC(=O)CNC(=O)c1ccccc1I
InChIInChI=1S/C15H15IN2O4/c1-9-12(10(2)22-18-9)8-21-14(19)7-17-15(20)11-5-3-4-6-13(11)16/h3-6H,7-8H2,1-2H3,(H,17,20)
InChIKeyOUZGRXAADMIXNB-UHFFFAOYSA-N
XLogP2.37
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.20
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(3,5-dimethyl-1,2-oxazol-4-yl)methyl (3R)-3-[(2-chlorobenzoyl)amino]-3-phenylpropanoate
CID 7870128
(4-bromophenyl)methyl 2-[(2-iodobenzoyl)amino]acetate
CID 55307422
N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]-2-iodobenzamide
CID 108571226
N-(2-acetamidoethyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 43006676
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,3-dihydroxybenzamide
CID 114344508
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-prop-2-enylbenzamide
CID 30533521
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2,3-dimethylbenzoate
CID 2364748
[2-(2,5-dimethylphenyl)-2-oxoethyl] 2-[(2-iodobenzoyl)amino]acetate
CID 29179948
N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 42989993
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-(4-phenylphenoxy)acetate
CID 2364688
[1-(dimethylamino)-1-oxopropan-2-yl] 2-[(2-iodobenzoyl)amino]acetate
CID 55390438
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 3-hydroxynaphthalene-2-carboxylate
CID 2098412

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-[(2-iodobenzoyl)amino]acetate?
The IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-[(2-iodobenzoyl)amino]acetate (CID 7229283) is (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-[(2-iodobenzoyl)amino]acetate.
What is the SMILES notation for (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-[(2-iodobenzoyl)amino]acetate?
The canonical SMILES for (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-[(2-iodobenzoyl)amino]acetate is Cc1noc(C)c1COC(=O)CNC(=O)c1ccccc1I.
What is the InChIKey of (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-[(2-iodobenzoyl)amino]acetate?
The InChIKey is OUZGRXAADMIXNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15IN2O4/c1-9-12(10(2)22-18-9)8-21-14(19)7-17-15(20)11-5-3-4-6-13(11)16/h3-6H,7-8H2,1-2H3,(H,17,20).
What are the key properties of (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-[(2-iodobenzoyl)amino]acetate?
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-[(2-iodobenzoyl)amino]acetate has a molecular weight of 414.20 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-[(2-iodobenzoyl)amino]acetate is sourced from PubChem (CID 7229283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).