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

C23H26N4O4 — CID 16958062

IUPAC2-[5-[(4-methylphenoxy)methyl]furan-2-yl]-5-(3-morpholin-4-ylpropylamino)-1,3-oxazole-4-carbonitrile
SMILESCc1ccc(OCc2ccc(-c3nc(C#N)c(NCCCN4CCOCC4)o3)o2)cc1
InChIInChI=1S/C23H26N4O4/c1-17-3-5-18(6-4-17)29-16-19-7-8-21(30-19)23-26-20(15-24)22(31-23)25-9-2-10-27-11-13-28-14-12-27/h3-8,25H,2,9-14,16H2,1H3
InChIKeyISDFEYXSISKQEB-UHFFFAOYSA-N
MW422.49 g/mol
LogP3.83
Rot. Bonds9

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

2-[5-[(4-methylphenoxy)methyl]furan-2-yl]-5-(3-morpholin-4-ylpropylamino)-1,3-oxazole-4-carbonitrile (PubChem CID 16958062) has the molecular formula C23H26N4O4 and a molecular weight of 422.49 g/mol. Its IUPAC name is 2-[5-[(4-methylphenoxy)methyl]furan-2-yl]-5-(3-morpholin-4-ylpropylamino)-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name2-[5-[(4-methylphenoxy)methyl]furan-2-yl]-5-(3-morpholin-4-ylpropylamino)-1,3-oxazole-4-carbonitrile
PubChem CID16958062
Molecular FormulaC23H26N4O4
Molecular Weight422.49 g/mol
Exact Mass422.20
IUPAC Name2-[5-[(4-methylphenoxy)methyl]furan-2-yl]-5-(3-morpholin-4-ylpropylamino)-1,3-oxazole-4-carbonitrile
SMILESCc1ccc(OCc2ccc(-c3nc(C#N)c(NCCCN4CCOCC4)o3)o2)cc1
InChIInChI=1S/C23H26N4O4/c1-17-3-5-18(6-4-17)29-16-19-7-8-21(30-19)23-26-20(15-24)22(31-23)25-9-2-10-27-11-13-28-14-12-27/h3-8,25H,2,9-14,16H2,1H3
InChIKeyISDFEYXSISKQEB-UHFFFAOYSA-N
XLogP3.83
TPSA96.69 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2-[5-[(4-methoxyphenoxy)methyl]furan-2-yl]-5-(2-morpholin-4-ylethylamino)-1,3-oxazole-4-carbonitrile
CID 16958100
2-[5-[(3-methylphenoxy)methyl]furan-2-yl]-5-(2-morpholin-4-ylethylamino)-1,3-oxazole-4-carbonitrile
CID 16958110
2-[5-[(4-methoxyphenoxy)methyl]furan-2-yl]-5-[(4-methylphenyl)methylamino]-1,3-oxazole-4-carbonitrile
CID 42587526
5-(3-morpholin-4-ylpropylamino)-2-[(4-phenylphenoxy)methyl]-1,3-oxazole-4-carbonitrile
CID 664721
5-(2-methoxyethylamino)-2-[5-[(3-methylphenoxy)methyl]furan-2-yl]-1,3-oxazole-4-carbonitrile
CID 23610827
5-(dimethylamino)-2-[5-[(4-methylphenoxy)methyl]furan-2-yl]-1,3-oxazole-4-carbonitrile
CID 16958067
5-(2-morpholin-4-ylethylamino)-2-[(4-phenylphenoxy)methyl]-1,3-oxazole-4-carbonitrile
CID 2021433
2-[5-[(4-methoxyphenoxy)methyl]furan-2-yl]-5-[[(2R)-oxolan-2-yl]methylamino]-1,3-oxazole-4-carbonitrile
CID 42587530
5-[(2-chlorophenyl)methylamino]-2-[5-[(3,4-dimethylphenoxy)methyl]furan-2-yl]-1,3-oxazole-4-carbonitrile
CID 44616185
5-(methylamino)-2-[5-(naphthalen-2-yloxymethyl)furan-2-yl]-1,3-oxazole-4-carbonitrile
CID 44616165
2-[5-[(3,4-dimethylphenoxy)methyl]furan-2-yl]-5-piperidin-1-yl-1,3-oxazole-4-carbonitrile
CID 44616216
2-[5-[(2,5-dimethylphenoxy)methyl]furan-2-yl]-5-(4-ethylpiperazin-1-yl)-1,3-oxazole-4-carbonitrile
CID 46270735

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(4-methylphenoxy)methyl]furan-2-yl]-5-(3-morpholin-4-ylpropylamino)-1,3-oxazole-4-carbonitrile?
The IUPAC name of 2-[5-[(4-methylphenoxy)methyl]furan-2-yl]-5-(3-morpholin-4-ylpropylamino)-1,3-oxazole-4-carbonitrile (CID 16958062) is 2-[5-[(4-methylphenoxy)methyl]furan-2-yl]-5-(3-morpholin-4-ylpropylamino)-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 2-[5-[(4-methylphenoxy)methyl]furan-2-yl]-5-(3-morpholin-4-ylpropylamino)-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 2-[5-[(4-methylphenoxy)methyl]furan-2-yl]-5-(3-morpholin-4-ylpropylamino)-1,3-oxazole-4-carbonitrile is Cc1ccc(OCc2ccc(-c3nc(C#N)c(NCCCN4CCOCC4)o3)o2)cc1.
What is the InChIKey of 2-[5-[(4-methylphenoxy)methyl]furan-2-yl]-5-(3-morpholin-4-ylpropylamino)-1,3-oxazole-4-carbonitrile?
The InChIKey is ISDFEYXSISKQEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O4/c1-17-3-5-18(6-4-17)29-16-19-7-8-21(30-19)23-26-20(15-24)22(31-23)25-9-2-10-27-11-13-28-14-12-27/h3-8,25H,2,9-14,16H2,1H3.
What are the key properties of 2-[5-[(4-methylphenoxy)methyl]furan-2-yl]-5-(3-morpholin-4-ylpropylamino)-1,3-oxazole-4-carbonitrile?
2-[5-[(4-methylphenoxy)methyl]furan-2-yl]-5-(3-morpholin-4-ylpropylamino)-1,3-oxazole-4-carbonitrile has a molecular weight of 422.49 g/mol, XLogP of 3.83, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(4-methylphenoxy)methyl]furan-2-yl]-5-(3-morpholin-4-ylpropylamino)-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 16958062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).