N-ethyl-4-iodo-3-(4-methyl-2-phenylmethoxy-5-propan-2-ylphenyl)-1,2-oxazole-5-carboxamide

C23H25IN2O3 — CID 134166507

IUPACN-ethyl-4-iodo-3-(4-methyl-2-phenylmethoxy-5-propan-2-ylphenyl)-1,2-oxazole-5-carboxamide
SMILESCCNC(=O)c1onc(-c2cc(C(C)C)c(C)cc2OCc2ccccc2)c1I
InChIInChI=1S/C23H25IN2O3/c1-5-25-23(27)22-20(24)21(26-29-22)18-12-17(14(2)3)15(4)11-19(18)28-13-16-9-7-6-8-10-16/h6-12,14H,5,13H2,1-4H3,(H,25,27)
InChIKeyKYVJESCRYKTYCN-UHFFFAOYSA-N
MW504.37 g/mol
LogP5.71
Rot. Bonds7

About N-ethyl-4-iodo-3-(4-methyl-2-phenylmethoxy-5-propan-2-ylphenyl)-1,2-oxazole-5-carboxamide

N-ethyl-4-iodo-3-(4-methyl-2-phenylmethoxy-5-propan-2-ylphenyl)-1,2-oxazole-5-carboxamide (PubChem CID 134166507) has the molecular formula C23H25IN2O3 and a molecular weight of 504.37 g/mol. Its IUPAC name is N-ethyl-4-iodo-3-(4-methyl-2-phenylmethoxy-5-propan-2-ylphenyl)-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-ethyl-4-iodo-3-(4-methyl-2-phenylmethoxy-5-propan-2-ylphenyl)-1,2-oxazole-5-carboxamide
PubChem CID134166507
Molecular FormulaC23H25IN2O3
Molecular Weight504.37 g/mol
Exact Mass504.09
IUPAC NameN-ethyl-4-iodo-3-(4-methyl-2-phenylmethoxy-5-propan-2-ylphenyl)-1,2-oxazole-5-carboxamide
SMILESCCNC(=O)c1onc(-c2cc(C(C)C)c(C)cc2OCc2ccccc2)c1I
InChIInChI=1S/C23H25IN2O3/c1-5-25-23(27)22-20(24)21(26-29-22)18-12-17(14(2)3)15(4)11-19(18)28-13-16-9-7-6-8-10-16/h6-12,14H,5,13H2,1-4H3,(H,25,27)
InChIKeyKYVJESCRYKTYCN-UHFFFAOYSA-N
XLogP5.71
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.37
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-N-ethyl-4-methyl-1,2-oxazole-5-carboxamide;ethane
CID 145125230
N-ethyl-5-(4-methyl-2-phenylmethoxy-5-propan-2-ylphenyl)-4-(5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)-1,2-oxazole-3-carboxamide
CID 134166486
N-ethyl-5-[4-methyl-5-(2-methylpropyl)-2-phenylmethoxyphenyl]-1,2-oxazole-3-carboxamide
CID 70800264
N-ethyl-1-[(4-methoxyphenyl)methyl]-5-(4-methyl-2-phenylmethoxy-5-propan-2-ylphenyl)pyrrole-2-carboxamide
CID 58305193
5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-N-ethyl-4-[5-(oxiran-2-yl)-1,2,4-oxadiazol-3-yl]-1,2-oxazole-3-carboxamide
CID 87376641
5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-N-ethyl-4-(2-ethyltetrazol-5-yl)-1,2-oxazole-3-carboxamide
CID 67374989
5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-N-ethyl-4-(3-thiophen-3-yl-1,2-oxazol-5-yl)-1,2-oxazole-3-carboxamide
CID 67375076
dicesium;1-bromo-2-methoxyethane;3-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-ethyl-4-[2-(2-methoxyethyl)-3,4-dihydro-1H-isoquinolin-6-yl]-1,2-oxazole-5-carboxamide;3-(2,4-dimethyl-5-propan-2-ylphenyl)-N-ethyl-4-[2-(2-methoxyethyl)-3,4-dihydro-1H-isoquinolin-6-yl]-1,2-oxazole-5-carboxamide;N-ethyl-3-(4-methyl-2-phenylmethoxy-5-propan-2-ylphenyl)-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2-oxazole-5-carboxamide;hydride;oxido formate
CID 158914559
5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-N-ethyl-4-(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-1,2-oxazole-3-carboxamide
CID 135265032
3-(2,4-dibutoxy-5-propan-2-ylphenyl)-4-iodo-1,2-oxazole-5-carbonyl chloride
CID 122430004
N-ethyl-5-[5-(2-phenylethyl)-2,4-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxamide
CID 24773353
4-amino-5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-1,2-oxazole-3-carboxylic acid
CID 123210670

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-iodo-3-(4-methyl-2-phenylmethoxy-5-propan-2-ylphenyl)-1,2-oxazole-5-carboxamide?
The IUPAC name of N-ethyl-4-iodo-3-(4-methyl-2-phenylmethoxy-5-propan-2-ylphenyl)-1,2-oxazole-5-carboxamide (CID 134166507) is N-ethyl-4-iodo-3-(4-methyl-2-phenylmethoxy-5-propan-2-ylphenyl)-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-ethyl-4-iodo-3-(4-methyl-2-phenylmethoxy-5-propan-2-ylphenyl)-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-ethyl-4-iodo-3-(4-methyl-2-phenylmethoxy-5-propan-2-ylphenyl)-1,2-oxazole-5-carboxamide is CCNC(=O)c1onc(-c2cc(C(C)C)c(C)cc2OCc2ccccc2)c1I.
What is the InChIKey of N-ethyl-4-iodo-3-(4-methyl-2-phenylmethoxy-5-propan-2-ylphenyl)-1,2-oxazole-5-carboxamide?
The InChIKey is KYVJESCRYKTYCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25IN2O3/c1-5-25-23(27)22-20(24)21(26-29-22)18-12-17(14(2)3)15(4)11-19(18)28-13-16-9-7-6-8-10-16/h6-12,14H,5,13H2,1-4H3,(H,25,27).
What are the key properties of N-ethyl-4-iodo-3-(4-methyl-2-phenylmethoxy-5-propan-2-ylphenyl)-1,2-oxazole-5-carboxamide?
N-ethyl-4-iodo-3-(4-methyl-2-phenylmethoxy-5-propan-2-ylphenyl)-1,2-oxazole-5-carboxamide has a molecular weight of 504.37 g/mol, XLogP of 5.71, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-iodo-3-(4-methyl-2-phenylmethoxy-5-propan-2-ylphenyl)-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 134166507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).