2-pyridin-3-yl-5-[[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]amino]-1,3-oxazole-4-carbonitrile

C19H19N5OS — CID 51699426

IUPAC2-pyridin-3-yl-5-[[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]amino]-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(-c2cccnc2)oc1NC[C@@H](c1cccs1)N1CCCC1
InChIInChI=1S/C19H19N5OS/c20-11-15-19(25-18(23-15)14-5-3-7-21-12-14)22-13-16(17-6-4-10-26-17)24-8-1-2-9-24/h3-7,10,12,16,22H,1-2,8-9,13H2/t16-/m0/s1
InChIKeyUJXIBOOAJGJDQL-INIZCTEOSA-N
MW365.46 g/mol
LogP3.92
Rot. Bonds6

About 2-pyridin-3-yl-5-[[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]amino]-1,3-oxazole-4-carbonitrile

2-pyridin-3-yl-5-[[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]amino]-1,3-oxazole-4-carbonitrile (PubChem CID 51699426) has the molecular formula C19H19N5OS and a molecular weight of 365.46 g/mol. Its IUPAC name is 2-pyridin-3-yl-5-[[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]amino]-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name2-pyridin-3-yl-5-[[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]amino]-1,3-oxazole-4-carbonitrile
PubChem CID51699426
Molecular FormulaC19H19N5OS
Molecular Weight365.46 g/mol
Exact Mass365.13
IUPAC Name2-pyridin-3-yl-5-[[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]amino]-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(-c2cccnc2)oc1NC[C@@H](c1cccs1)N1CCCC1
InChIInChI=1S/C19H19N5OS/c20-11-15-19(25-18(23-15)14-5-3-7-21-12-14)22-13-16(17-6-4-10-26-17)24-8-1-2-9-24/h3-7,10,12,16,22H,1-2,8-9,13H2/t16-/m0/s1
InChIKeyUJXIBOOAJGJDQL-INIZCTEOSA-N
XLogP3.92
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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
5-[[(2R)-2-morpholin-4-yl-2-(4-propan-2-ylphenyl)ethyl]amino]-2-pyridin-3-yl-1,3-oxazole-4-carbonitrile
CID 51699494
2-[4-[(2-chlorophenyl)methoxy]phenyl]-5-[[(2R)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]amino]-1,3-oxazole-4-carbonitrile
CID 51699232
5-[[(2S)-2-(4-chlorophenyl)-2-piperidin-1-ylethyl]amino]-2-phenyl-1,3-oxazole-4-carbonitrile
CID 34925081
2-[(4-chlorophenoxy)methyl]-5-[[(2R)-2-piperidin-1-yl-2-thiophen-2-ylethyl]amino]-1,3-oxazole-4-carbonitrile
CID 51699289
ethanol;bis(5-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile)
CID 146121027
5-[[(2R)-oxolan-2-yl]methylamino]-2-pyridin-3-yl-1,3-oxazole-4-carbonitrile
CID 51699394
2-(4-chlorophenyl)-5-[[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-1,3-oxazole-4-carbonitrile
CID 35345526
2-(furan-2-yl)-5-[[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]amino]-1,3-oxazole-4-carbonitrile
CID 139582550
5-phenyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)-1,2,4-oxadiazol-3-amine
CID 133481548
2-(4-methylphenyl)-5-[[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]-1,3-oxazole-4-carbonitrile
CID 35180679

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-3-yl-5-[[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]amino]-1,3-oxazole-4-carbonitrile?
The IUPAC name of 2-pyridin-3-yl-5-[[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]amino]-1,3-oxazole-4-carbonitrile (CID 51699426) is 2-pyridin-3-yl-5-[[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]amino]-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 2-pyridin-3-yl-5-[[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]amino]-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 2-pyridin-3-yl-5-[[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]amino]-1,3-oxazole-4-carbonitrile is N#Cc1nc(-c2cccnc2)oc1NC[C@@H](c1cccs1)N1CCCC1.
What is the InChIKey of 2-pyridin-3-yl-5-[[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]amino]-1,3-oxazole-4-carbonitrile?
The InChIKey is UJXIBOOAJGJDQL-INIZCTEOSA-N. The full InChI is InChI=1S/C19H19N5OS/c20-11-15-19(25-18(23-15)14-5-3-7-21-12-14)22-13-16(17-6-4-10-26-17)24-8-1-2-9-24/h3-7,10,12,16,22H,1-2,8-9,13H2/t16-/m0/s1.
What are the key properties of 2-pyridin-3-yl-5-[[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]amino]-1,3-oxazole-4-carbonitrile?
2-pyridin-3-yl-5-[[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]amino]-1,3-oxazole-4-carbonitrile has a molecular weight of 365.46 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-3-yl-5-[[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]amino]-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 51699426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).