2-(furan-2-yl)-5-[[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]amino]-1,3-oxazole-4-carbonitrile

C21H22N4O2 — CID 139582550

IUPAC2-(furan-2-yl)-5-[[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]amino]-1,3-oxazole-4-carbonitrile
SMILESCc1ccc(C(CNc2oc(-c3ccco3)nc2C#N)N2CCCC2)cc1
InChIInChI=1S/C21H22N4O2/c1-15-6-8-16(9-7-15)18(25-10-2-3-11-25)14-23-20-17(13-22)24-21(27-20)19-5-4-12-26-19/h4-9,12,18,23H,2-3,10-11,14H2,1H3
InChIKeyHMCALAZGCCWJLZ-UHFFFAOYSA-N
MW362.43 g/mol
LogP4.36
Rot. Bonds6

About 2-(furan-2-yl)-5-[[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]amino]-1,3-oxazole-4-carbonitrile

2-(furan-2-yl)-5-[[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]amino]-1,3-oxazole-4-carbonitrile (PubChem CID 139582550) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is 2-(furan-2-yl)-5-[[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]amino]-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name2-(furan-2-yl)-5-[[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]amino]-1,3-oxazole-4-carbonitrile
PubChem CID139582550
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name2-(furan-2-yl)-5-[[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]amino]-1,3-oxazole-4-carbonitrile
SMILESCc1ccc(C(CNc2oc(-c3ccco3)nc2C#N)N2CCCC2)cc1
InChIInChI=1S/C21H22N4O2/c1-15-6-8-16(9-7-15)18(25-10-2-3-11-25)14-23-20-17(13-22)24-21(27-20)19-5-4-12-26-19/h4-9,12,18,23H,2-3,10-11,14H2,1H3
InChIKeyHMCALAZGCCWJLZ-UHFFFAOYSA-N
XLogP4.36
TPSA78.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]amino]-2-(2-nitrophenyl)-1,3-oxazole-4-carbonitrile
CID 43865881
2-(4-methylphenyl)-5-[[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]-1,3-oxazole-4-carbonitrile
CID 35180679
2-(4-chlorophenyl)-5-[[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-1,3-oxazole-4-carbonitrile
CID 35345526
5-[[(2S)-2-(4-chlorophenyl)-2-piperidin-1-ylethyl]amino]-2-phenyl-1,3-oxazole-4-carbonitrile
CID 34925081
2-tert-butyl-5-[[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]amino]-1,3-oxazole-4-carbonitrile
CID 17013378
5-[(2-phenyl-2-pyrrolidin-1-ylethyl)amino]-2-pyridin-3-yl-1,3-oxazole-4-carbonitrile
CID 46300371
5-[(2-phenyl-2-piperidin-1-ylethyl)amino]-2-pyridin-3-yl-1,3-oxazole-4-carbonitrile
CID 46300372
ethanol;bis(5-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile)
CID 146121027
2-(fluoromethyl)-5-[[2-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]-1,3-oxazole-4-carbonitrile
CID 56726033
2-[(2,4-dimethylphenoxy)methyl]-5-[(2-phenyl-2-piperidin-1-ylethyl)amino]-1,3-oxazole-4-carbonitrile
CID 46299941
2-[[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]amino]ethyl-dimethylazanium
CID 7562126
2-[4-[(2-chlorophenyl)methoxy]phenyl]-5-[[2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]amino]-1,3-oxazole-4-carbonitrile
CID 46300085

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-5-[[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]amino]-1,3-oxazole-4-carbonitrile?
The IUPAC name of 2-(furan-2-yl)-5-[[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]amino]-1,3-oxazole-4-carbonitrile (CID 139582550) is 2-(furan-2-yl)-5-[[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]amino]-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 2-(furan-2-yl)-5-[[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]amino]-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 2-(furan-2-yl)-5-[[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]amino]-1,3-oxazole-4-carbonitrile is Cc1ccc(C(CNc2oc(-c3ccco3)nc2C#N)N2CCCC2)cc1.
What is the InChIKey of 2-(furan-2-yl)-5-[[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]amino]-1,3-oxazole-4-carbonitrile?
The InChIKey is HMCALAZGCCWJLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-15-6-8-16(9-7-15)18(25-10-2-3-11-25)14-23-20-17(13-22)24-21(27-20)19-5-4-12-26-19/h4-9,12,18,23H,2-3,10-11,14H2,1H3.
What are the key properties of 2-(furan-2-yl)-5-[[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]amino]-1,3-oxazole-4-carbonitrile?
2-(furan-2-yl)-5-[[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]amino]-1,3-oxazole-4-carbonitrile has a molecular weight of 362.43 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-5-[[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]amino]-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 139582550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).