2-(4-chlorophenyl)-5-[[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-1,3-oxazole-4-carbonitrile

C21H21ClN4O2 — CID 35345526

IUPAC2-(4-chlorophenyl)-5-[[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(-c2ccc(Cl)cc2)oc1NC[C@H](c1ccco1)N1CCCCC1
InChIInChI=1S/C21H21ClN4O2/c22-16-8-6-15(7-9-16)20-25-17(13-23)21(28-20)24-14-18(19-5-4-12-27-19)26-10-2-1-3-11-26/h4-9,12,18,24H,1-3,10-11,14H2/t18-/m1/s1
InChIKeyUVRSOPLOKVOQRC-GOSISDBHSA-N
MW396.88 g/mol
LogP5.10
Rot. Bonds6

About 2-(4-chlorophenyl)-5-[[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-1,3-oxazole-4-carbonitrile

2-(4-chlorophenyl)-5-[[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-1,3-oxazole-4-carbonitrile (PubChem CID 35345526) has the molecular formula C21H21ClN4O2 and a molecular weight of 396.88 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-5-[[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name2-(4-chlorophenyl)-5-[[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-1,3-oxazole-4-carbonitrile
PubChem CID35345526
Molecular FormulaC21H21ClN4O2
Molecular Weight396.88 g/mol
Exact Mass396.14
IUPAC Name2-(4-chlorophenyl)-5-[[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(-c2ccc(Cl)cc2)oc1NC[C@H](c1ccco1)N1CCCCC1
InChIInChI=1S/C21H21ClN4O2/c22-16-8-6-15(7-9-16)20-25-17(13-23)21(28-20)24-14-18(19-5-4-12-27-19)26-10-2-1-3-11-26/h4-9,12,18,24H,1-3,10-11,14H2/t18-/m1/s1
InChIKeyUVRSOPLOKVOQRC-GOSISDBHSA-N
XLogP5.10
TPSA78.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.88
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[[(2S)-2-(4-chlorophenyl)-2-piperidin-1-ylethyl]amino]-2-phenyl-1,3-oxazole-4-carbonitrile
CID 34925081
ethanol;bis(5-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile)
CID 146121027
2-tert-butyl-5-[[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]amino]-1,3-oxazole-4-carbonitrile
CID 17013378
2-[4-[(2-chlorophenyl)methoxy]phenyl]-5-[[2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]amino]-1,3-oxazole-4-carbonitrile
CID 46300085
2-(furan-2-yl)-5-[[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]amino]-1,3-oxazole-4-carbonitrile
CID 139582550
5-[(2-phenyl-2-piperidin-1-ylethyl)amino]-2-pyridin-3-yl-1,3-oxazole-4-carbonitrile
CID 46300372
2-[4-[(2-chlorophenyl)methoxy]phenyl]-5-[[(2S)-2-(4-chlorophenyl)-2-morpholin-4-ylethyl]amino]-1,3-oxazole-4-carbonitrile
CID 98199295
2-[4-[(2-chlorophenyl)methoxy]phenyl]-5-[[(2R)-2-(4-chlorophenyl)-2-morpholin-4-ylethyl]amino]-1,3-oxazole-4-carbonitrile
CID 98199294
5-[(2-phenyl-2-pyrrolidin-1-ylethyl)amino]-2-pyridin-3-yl-1,3-oxazole-4-carbonitrile
CID 46300371
2-[4-[(2-chlorophenyl)methoxy]phenyl]-5-[[(2R)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]amino]-1,3-oxazole-4-carbonitrile
CID 51699232
N-[2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-4-cyano-2-(4-methylphenyl)-1,3-oxazole-5-sulfonamide
CID 138392484
5-[[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]amino]-2-(4-methoxyphenyl)-1,3-oxazole-4-carbonitrile
CID 35142556

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-5-[[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-1,3-oxazole-4-carbonitrile?
The IUPAC name of 2-(4-chlorophenyl)-5-[[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-1,3-oxazole-4-carbonitrile (CID 35345526) is 2-(4-chlorophenyl)-5-[[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 2-(4-chlorophenyl)-5-[[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 2-(4-chlorophenyl)-5-[[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-1,3-oxazole-4-carbonitrile is N#Cc1nc(-c2ccc(Cl)cc2)oc1NC[C@H](c1ccco1)N1CCCCC1.
What is the InChIKey of 2-(4-chlorophenyl)-5-[[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-1,3-oxazole-4-carbonitrile?
The InChIKey is UVRSOPLOKVOQRC-GOSISDBHSA-N. The full InChI is InChI=1S/C21H21ClN4O2/c22-16-8-6-15(7-9-16)20-25-17(13-23)21(28-20)24-14-18(19-5-4-12-27-19)26-10-2-1-3-11-26/h4-9,12,18,24H,1-3,10-11,14H2/t18-/m1/s1.
What are the key properties of 2-(4-chlorophenyl)-5-[[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-1,3-oxazole-4-carbonitrile?
2-(4-chlorophenyl)-5-[[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-1,3-oxazole-4-carbonitrile has a molecular weight of 396.88 g/mol, XLogP of 5.10, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-5-[[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 35345526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).