2-[(2,4-dichlorophenoxy)methyl]-5-(4-methoxyanilino)-1,3-oxazole-4-carbonitrile

C18H13Cl2N3O3 — CID 18822806

IUPAC2-[(2,4-dichlorophenoxy)methyl]-5-(4-methoxyanilino)-1,3-oxazole-4-carbonitrile
SMILESCOc1ccc(Nc2oc(COc3ccc(Cl)cc3Cl)nc2C#N)cc1
InChIInChI=1S/C18H13Cl2N3O3/c1-24-13-5-3-12(4-6-13)22-18-15(9-21)23-17(26-18)10-25-16-7-2-11(19)8-14(16)20/h2-8,22H,10H2,1H3
InChIKeyDMDSJSUSAVMEPJ-UHFFFAOYSA-N
MW390.23 g/mol
LogP5.18
Rot. Bonds6

About 2-[(2,4-dichlorophenoxy)methyl]-5-(4-methoxyanilino)-1,3-oxazole-4-carbonitrile

2-[(2,4-dichlorophenoxy)methyl]-5-(4-methoxyanilino)-1,3-oxazole-4-carbonitrile (PubChem CID 18822806) has the molecular formula C18H13Cl2N3O3 and a molecular weight of 390.23 g/mol. Its IUPAC name is 2-[(2,4-dichlorophenoxy)methyl]-5-(4-methoxyanilino)-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name2-[(2,4-dichlorophenoxy)methyl]-5-(4-methoxyanilino)-1,3-oxazole-4-carbonitrile
PubChem CID18822806
Molecular FormulaC18H13Cl2N3O3
Molecular Weight390.23 g/mol
Exact Mass389.03
IUPAC Name2-[(2,4-dichlorophenoxy)methyl]-5-(4-methoxyanilino)-1,3-oxazole-4-carbonitrile
SMILESCOc1ccc(Nc2oc(COc3ccc(Cl)cc3Cl)nc2C#N)cc1
InChIInChI=1S/C18H13Cl2N3O3/c1-24-13-5-3-12(4-6-13)22-18-15(9-21)23-17(26-18)10-25-16-7-2-11(19)8-14(16)20/h2-8,22H,10H2,1H3
InChIKeyDMDSJSUSAVMEPJ-UHFFFAOYSA-N
XLogP5.18
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.23
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(2,4-dichlorophenoxy)methyl]-5-(methylamino)-1,3-oxazole-4-carbonitrile
CID 939638
2-(1,3-benzodioxol-5-yloxymethyl)-5-(4-methoxyanilino)-1,3-oxazole-4-carbonitrile
CID 39308513
5-[(2-chlorophenyl)methylamino]-2-[(4-methoxyphenoxy)methyl]-1,3-oxazole-4-carbonitrile
CID 1080245
2-[(3-chlorophenoxy)methyl]-5-[2-(3,4-dimethoxyphenyl)ethylamino]-1,3-oxazole-4-carbonitrile
CID 2014270
2-[(3-chlorophenoxy)methyl]-5-(2-methoxyethylamino)-1,3-oxazole-4-carbonitrile
CID 18822834
2-[(4-methoxyphenoxy)methyl]-5-[[(1S)-1-phenylethyl]amino]-1,3-oxazole-4-carbonitrile
CID 713854
2-(3,4-dimethoxyphenyl)-5-(4-ethoxyanilino)-1,3-oxazole-4-carbonitrile
CID 18822660
2-[(4-chlorophenoxy)methyl]-5-[[2-(diethylamino)-2-phenylethyl]amino]-1,3-oxazole-4-carbonitrile
CID 46299786
5-(furan-2-ylmethylamino)-2-[(4-methoxyphenoxy)methyl]-1,3-oxazole-4-carbonitrile
CID 750998
2-(4-methoxyphenyl)-5-(4-methylanilino)-1,3-oxazole-4-carbonitrile
CID 23736098
5-(ethylamino)-2-[(2-methoxyphenoxy)methyl]-1,3-oxazole-4-carbonitrile
CID 1080237
3-[[2-[(3-chlorophenoxy)methyl]-4-cyano-1,3-oxazol-5-yl]amino]propyl-dimethylazanium
CID 2016763

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dichlorophenoxy)methyl]-5-(4-methoxyanilino)-1,3-oxazole-4-carbonitrile?
The IUPAC name of 2-[(2,4-dichlorophenoxy)methyl]-5-(4-methoxyanilino)-1,3-oxazole-4-carbonitrile (CID 18822806) is 2-[(2,4-dichlorophenoxy)methyl]-5-(4-methoxyanilino)-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 2-[(2,4-dichlorophenoxy)methyl]-5-(4-methoxyanilino)-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 2-[(2,4-dichlorophenoxy)methyl]-5-(4-methoxyanilino)-1,3-oxazole-4-carbonitrile is COc1ccc(Nc2oc(COc3ccc(Cl)cc3Cl)nc2C#N)cc1.
What is the InChIKey of 2-[(2,4-dichlorophenoxy)methyl]-5-(4-methoxyanilino)-1,3-oxazole-4-carbonitrile?
The InChIKey is DMDSJSUSAVMEPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl2N3O3/c1-24-13-5-3-12(4-6-13)22-18-15(9-21)23-17(26-18)10-25-16-7-2-11(19)8-14(16)20/h2-8,22H,10H2,1H3.
What are the key properties of 2-[(2,4-dichlorophenoxy)methyl]-5-(4-methoxyanilino)-1,3-oxazole-4-carbonitrile?
2-[(2,4-dichlorophenoxy)methyl]-5-(4-methoxyanilino)-1,3-oxazole-4-carbonitrile has a molecular weight of 390.23 g/mol, XLogP of 5.18, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dichlorophenoxy)methyl]-5-(4-methoxyanilino)-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 18822806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).