N-[(2,4-dimethoxyphenyl)methyl]-2-iodo-5-phenyl-1,3-oxazole-4-carboxamide

C19H17IN2O4 — CID 141373361

IUPACN-[(2,4-dimethoxyphenyl)methyl]-2-iodo-5-phenyl-1,3-oxazole-4-carboxamide
SMILESCOc1ccc(CNC(=O)c2nc(I)oc2-c2ccccc2)c(OC)c1
InChIInChI=1S/C19H17IN2O4/c1-24-14-9-8-13(15(10-14)25-2)11-21-18(23)16-17(26-19(20)22-16)12-6-4-3-5-7-12/h3-10H,11H2,1-2H3,(H,21,23)
InChIKeyFDTPSUPXOSNIGI-UHFFFAOYSA-N
MW464.26 g/mol
LogP3.89
Rot. Bonds6

About N-[(2,4-dimethoxyphenyl)methyl]-2-iodo-5-phenyl-1,3-oxazole-4-carboxamide

N-[(2,4-dimethoxyphenyl)methyl]-2-iodo-5-phenyl-1,3-oxazole-4-carboxamide (PubChem CID 141373361) has the molecular formula C19H17IN2O4 and a molecular weight of 464.26 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]-2-iodo-5-phenyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)methyl]-2-iodo-5-phenyl-1,3-oxazole-4-carboxamide
PubChem CID141373361
Molecular FormulaC19H17IN2O4
Molecular Weight464.26 g/mol
Exact Mass464.02
IUPAC NameN-[(2,4-dimethoxyphenyl)methyl]-2-iodo-5-phenyl-1,3-oxazole-4-carboxamide
SMILESCOc1ccc(CNC(=O)c2nc(I)oc2-c2ccccc2)c(OC)c1
InChIInChI=1S/C19H17IN2O4/c1-24-14-9-8-13(15(10-14)25-2)11-21-18(23)16-17(26-19(20)22-16)12-6-4-3-5-7-12/h3-10H,11H2,1-2H3,(H,21,23)
InChIKeyFDTPSUPXOSNIGI-UHFFFAOYSA-N
XLogP3.89
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.26
LogP ≤ 53.89
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

N-[(2,4-dimethoxyphenyl)methyl]-4-phenylbenzamide
CID 46590205
N-[(2,4-dimethoxyphenyl)methyl]-2-iodo-3-methylbenzamide
CID 46453624
N-[(2,4-dimethoxyphenyl)methyl]-2,6-difluorobenzamide
CID 46590232
1-[(2,4-dimethoxyphenyl)methyl]-3-phenylurea
CID 110774912
N-[(2,4-dimethoxyphenyl)methyl]-4-[(2-phenylpyrimidin-4-yl)amino]benzamide
CID 53078371
N-[(2,4-dimethoxyphenyl)methyl]-5-fluoro-6-methylpyridine-2-carboxamide
CID 146080495
1-[(2,4-dimethoxyphenyl)methyl]-3-(5-phenyl-1,3-thiazol-2-yl)urea
CID 78892965
2-amino-N-[(2,4-dimethoxyphenyl)methyl]-2-phenylpropanamide
CID 120587952
N-[(2,4-dimethoxyphenyl)methyl]-2,5-dimethylpyrazole-3-carboxamide
CID 87024506
N-[(2,4-dimethoxyphenyl)methyl]-2-ethoxybenzamide
CID 46590246
N-[(2,4-dimethoxyphenyl)methyl]-3-[(2-phenylacetyl)amino]propanamide
CID 46590301
2-[[(2,4-dimethoxyphenyl)methylamino]methyl]phenol
CID 62732592

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-2-iodo-5-phenyl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-2-iodo-5-phenyl-1,3-oxazole-4-carboxamide (CID 141373361) is N-[(2,4-dimethoxyphenyl)methyl]-2-iodo-5-phenyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]-2-iodo-5-phenyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]-2-iodo-5-phenyl-1,3-oxazole-4-carboxamide is COc1ccc(CNC(=O)c2nc(I)oc2-c2ccccc2)c(OC)c1.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]-2-iodo-5-phenyl-1,3-oxazole-4-carboxamide?
The InChIKey is FDTPSUPXOSNIGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17IN2O4/c1-24-14-9-8-13(15(10-14)25-2)11-21-18(23)16-17(26-19(20)22-16)12-6-4-3-5-7-12/h3-10H,11H2,1-2H3,(H,21,23).
What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]-2-iodo-5-phenyl-1,3-oxazole-4-carboxamide?
N-[(2,4-dimethoxyphenyl)methyl]-2-iodo-5-phenyl-1,3-oxazole-4-carboxamide has a molecular weight of 464.26 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethoxyphenyl)methyl]-2-iodo-5-phenyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 141373361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).