5-(2-methoxyethylamino)-2-[5-[(3-methylphenoxy)methyl]furan-2-yl]-1,3-oxazole-4-carbonitrile

C19H19N3O4 — CID 23610827

IUPAC5-(2-methoxyethylamino)-2-[5-[(3-methylphenoxy)methyl]furan-2-yl]-1,3-oxazole-4-carbonitrile
SMILESCOCCNc1oc(-c2ccc(COc3cccc(C)c3)o2)nc1C#N
InChIInChI=1S/C19H19N3O4/c1-13-4-3-5-14(10-13)24-12-15-6-7-17(25-15)19-22-16(11-20)18(26-19)21-8-9-23-2/h3-7,10,21H,8-9,12H2,1-2H3
InChIKeyOLFQHQMWABBZJM-UHFFFAOYSA-N
MW353.38 g/mol
LogP3.75
Rot. Bonds8

About 5-(2-methoxyethylamino)-2-[5-[(3-methylphenoxy)methyl]furan-2-yl]-1,3-oxazole-4-carbonitrile

5-(2-methoxyethylamino)-2-[5-[(3-methylphenoxy)methyl]furan-2-yl]-1,3-oxazole-4-carbonitrile (PubChem CID 23610827) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is 5-(2-methoxyethylamino)-2-[5-[(3-methylphenoxy)methyl]furan-2-yl]-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name5-(2-methoxyethylamino)-2-[5-[(3-methylphenoxy)methyl]furan-2-yl]-1,3-oxazole-4-carbonitrile
PubChem CID23610827
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC Name5-(2-methoxyethylamino)-2-[5-[(3-methylphenoxy)methyl]furan-2-yl]-1,3-oxazole-4-carbonitrile
SMILESCOCCNc1oc(-c2ccc(COc3cccc(C)c3)o2)nc1C#N
InChIInChI=1S/C19H19N3O4/c1-13-4-3-5-14(10-13)24-12-15-6-7-17(25-15)19-22-16(11-20)18(26-19)21-8-9-23-2/h3-7,10,21H,8-9,12H2,1-2H3
InChIKeyOLFQHQMWABBZJM-UHFFFAOYSA-N
XLogP3.75
TPSA93.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-[5-[(3-methylphenoxy)methyl]furan-2-yl]-5-(2-morpholin-4-ylethylamino)-1,3-oxazole-4-carbonitrile
CID 16958110
2-[5-[(3-methylphenoxy)methyl]furan-2-yl]-5-pyrrolidin-1-yl-1,3-oxazole-4-carbonitrile
CID 16958106
2-[5-[(4-methoxyphenoxy)methyl]furan-2-yl]-5-[(4-methylphenyl)methylamino]-1,3-oxazole-4-carbonitrile
CID 42587526
5-(methylamino)-2-[5-(naphthalen-2-yloxymethyl)furan-2-yl]-1,3-oxazole-4-carbonitrile
CID 44616165
5-[(2-chlorophenyl)methylamino]-2-[5-[(3,4-dimethylphenoxy)methyl]furan-2-yl]-1,3-oxazole-4-carbonitrile
CID 44616185
2-[(3-chlorophenoxy)methyl]-5-(2-methoxyethylamino)-1,3-oxazole-4-carbonitrile
CID 18822834
2-[5-[(4-methoxyphenoxy)methyl]furan-2-yl]-5-(2-morpholin-4-ylethylamino)-1,3-oxazole-4-carbonitrile
CID 16958100
2-[5-[(4-methylphenoxy)methyl]furan-2-yl]-5-(3-morpholin-4-ylpropylamino)-1,3-oxazole-4-carbonitrile
CID 16958062
5-(1,3-benzodioxol-5-ylmethylamino)-2-[5-[(4-methylphenoxy)methyl]furan-2-yl]-1,3-oxazole-4-carbonitrile
CID 16958074
5-(oxolan-2-ylmethylamino)-2-[5-(phenoxymethyl)furan-2-yl]-1,3-oxazole-4-carbonitrile
CID 44616140
2-[5-[(4-methoxyphenoxy)methyl]furan-2-yl]-5-[[(2R)-oxolan-2-yl]methylamino]-1,3-oxazole-4-carbonitrile
CID 42587530
2-[5-[(4-bromophenoxy)methyl]furan-2-yl]-5-(pyridin-3-ylmethylamino)-1,3-oxazole-4-carbonitrile
CID 50752797

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyethylamino)-2-[5-[(3-methylphenoxy)methyl]furan-2-yl]-1,3-oxazole-4-carbonitrile?
The IUPAC name of 5-(2-methoxyethylamino)-2-[5-[(3-methylphenoxy)methyl]furan-2-yl]-1,3-oxazole-4-carbonitrile (CID 23610827) is 5-(2-methoxyethylamino)-2-[5-[(3-methylphenoxy)methyl]furan-2-yl]-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 5-(2-methoxyethylamino)-2-[5-[(3-methylphenoxy)methyl]furan-2-yl]-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 5-(2-methoxyethylamino)-2-[5-[(3-methylphenoxy)methyl]furan-2-yl]-1,3-oxazole-4-carbonitrile is COCCNc1oc(-c2ccc(COc3cccc(C)c3)o2)nc1C#N.
What is the InChIKey of 5-(2-methoxyethylamino)-2-[5-[(3-methylphenoxy)methyl]furan-2-yl]-1,3-oxazole-4-carbonitrile?
The InChIKey is OLFQHQMWABBZJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4/c1-13-4-3-5-14(10-13)24-12-15-6-7-17(25-15)19-22-16(11-20)18(26-19)21-8-9-23-2/h3-7,10,21H,8-9,12H2,1-2H3.
What are the key properties of 5-(2-methoxyethylamino)-2-[5-[(3-methylphenoxy)methyl]furan-2-yl]-1,3-oxazole-4-carbonitrile?
5-(2-methoxyethylamino)-2-[5-[(3-methylphenoxy)methyl]furan-2-yl]-1,3-oxazole-4-carbonitrile has a molecular weight of 353.38 g/mol, XLogP of 3.75, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyethylamino)-2-[5-[(3-methylphenoxy)methyl]furan-2-yl]-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 23610827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).