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

C22H24N4O5 — CID 16958100

IUPAC2-[5-[(4-methoxyphenoxy)methyl]furan-2-yl]-5-(2-morpholin-4-ylethylamino)-1,3-oxazole-4-carbonitrile
SMILESCOc1ccc(OCc2ccc(-c3nc(C#N)c(NCCN4CCOCC4)o3)o2)cc1
InChIInChI=1S/C22H24N4O5/c1-27-16-2-4-17(5-3-16)29-15-18-6-7-20(30-18)22-25-19(14-23)21(31-22)24-8-9-26-10-12-28-13-11-26/h2-7,24H,8-13,15H2,1H3
InChIKeyCHAULSWHNLGPQA-UHFFFAOYSA-N
MW424.46 g/mol
LogP3.14
Rot. Bonds9

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

2-[5-[(4-methoxyphenoxy)methyl]furan-2-yl]-5-(2-morpholin-4-ylethylamino)-1,3-oxazole-4-carbonitrile (PubChem CID 16958100) has the molecular formula C22H24N4O5 and a molecular weight of 424.46 g/mol. Its IUPAC name is 2-[5-[(4-methoxyphenoxy)methyl]furan-2-yl]-5-(2-morpholin-4-ylethylamino)-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name2-[5-[(4-methoxyphenoxy)methyl]furan-2-yl]-5-(2-morpholin-4-ylethylamino)-1,3-oxazole-4-carbonitrile
PubChem CID16958100
Molecular FormulaC22H24N4O5
Molecular Weight424.46 g/mol
Exact Mass424.17
IUPAC Name2-[5-[(4-methoxyphenoxy)methyl]furan-2-yl]-5-(2-morpholin-4-ylethylamino)-1,3-oxazole-4-carbonitrile
SMILESCOc1ccc(OCc2ccc(-c3nc(C#N)c(NCCN4CCOCC4)o3)o2)cc1
InChIInChI=1S/C22H24N4O5/c1-27-16-2-4-17(5-3-16)29-15-18-6-7-20(30-18)22-25-19(14-23)21(31-22)24-8-9-26-10-12-28-13-11-26/h2-7,24H,8-13,15H2,1H3
InChIKeyCHAULSWHNLGPQA-UHFFFAOYSA-N
XLogP3.14
TPSA105.92 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.46
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-[5-[(4-methoxyphenoxy)methyl]furan-2-yl]-5-(2-morpholin-4-ylethylamino)-1,3-oxazole-4-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[5-[(4-methylphenoxy)methyl]furan-2-yl]-5-(3-morpholin-4-ylpropylamino)-1,3-oxazole-4-carbonitrile
CID 16958062
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-[[(2R)-oxolan-2-yl]methylamino]-1,3-oxazole-4-carbonitrile
CID 42587530
2-[5-[(4-methoxyphenoxy)methyl]furan-2-yl]-5-[(4-methylphenyl)methylamino]-1,3-oxazole-4-carbonitrile
CID 42587526
5-(2-morpholin-4-ylethylamino)-2-[(4-phenylphenoxy)methyl]-1,3-oxazole-4-carbonitrile
CID 2021433
5-(2-methoxyethylamino)-2-[5-[(3-methylphenoxy)methyl]furan-2-yl]-1,3-oxazole-4-carbonitrile
CID 23610827
5-[4-[4-cyano-2-[5-[(4-methoxyphenoxy)methyl]furan-2-yl]-1,3-oxazol-5-yl]piperazin-1-yl]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile
CID 163347325
2-(2-fluorophenyl)-5-(2-morpholin-4-ylethylamino)-1,3-oxazole-4-carbonitrile
CID 892575
5-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-[5-[(4-methoxyphenoxy)methyl]furan-2-yl]-1,3-oxazole-4-carbonitrile
CID 42587520
5-(3-morpholin-4-ylpropylamino)-2-[(4-phenylphenoxy)methyl]-1,3-oxazole-4-carbonitrile
CID 664721
2-(3-chlorophenyl)-5-(2-morpholin-4-ylethylamino)-1,3-oxazole-4-carbonitrile
CID 939231
5-(methylamino)-2-[5-(naphthalen-2-yloxymethyl)furan-2-yl]-1,3-oxazole-4-carbonitrile
CID 44616165

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(4-methoxyphenoxy)methyl]furan-2-yl]-5-(2-morpholin-4-ylethylamino)-1,3-oxazole-4-carbonitrile?
The IUPAC name of 2-[5-[(4-methoxyphenoxy)methyl]furan-2-yl]-5-(2-morpholin-4-ylethylamino)-1,3-oxazole-4-carbonitrile (CID 16958100) is 2-[5-[(4-methoxyphenoxy)methyl]furan-2-yl]-5-(2-morpholin-4-ylethylamino)-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 2-[5-[(4-methoxyphenoxy)methyl]furan-2-yl]-5-(2-morpholin-4-ylethylamino)-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 2-[5-[(4-methoxyphenoxy)methyl]furan-2-yl]-5-(2-morpholin-4-ylethylamino)-1,3-oxazole-4-carbonitrile is COc1ccc(OCc2ccc(-c3nc(C#N)c(NCCN4CCOCC4)o3)o2)cc1.
What is the InChIKey of 2-[5-[(4-methoxyphenoxy)methyl]furan-2-yl]-5-(2-morpholin-4-ylethylamino)-1,3-oxazole-4-carbonitrile?
The InChIKey is CHAULSWHNLGPQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O5/c1-27-16-2-4-17(5-3-16)29-15-18-6-7-20(30-18)22-25-19(14-23)21(31-22)24-8-9-26-10-12-28-13-11-26/h2-7,24H,8-13,15H2,1H3.
What are the key properties of 2-[5-[(4-methoxyphenoxy)methyl]furan-2-yl]-5-(2-morpholin-4-ylethylamino)-1,3-oxazole-4-carbonitrile?
2-[5-[(4-methoxyphenoxy)methyl]furan-2-yl]-5-(2-morpholin-4-ylethylamino)-1,3-oxazole-4-carbonitrile has a molecular weight of 424.46 g/mol, XLogP of 3.14, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(4-methoxyphenoxy)methyl]furan-2-yl]-5-(2-morpholin-4-ylethylamino)-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 16958100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).