4-[4-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]sulfonylbenzonitrile

C19H24N4O3S — CID 55625627

IUPAC4-[4-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]sulfonylbenzonitrile
SMILESCC(C)(C)c1cnc(CN2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)o1
InChIInChI=1S/C19H24N4O3S/c1-19(2,3)17-13-21-18(26-17)14-22-8-10-23(11-9-22)27(24,25)16-6-4-15(12-20)5-7-16/h4-7,13H,8-11,14H2,1-3H3
InChIKeyRPCVNETYJOQJAA-UHFFFAOYSA-N
MW388.49 g/mol
LogP2.35
Rot. Bonds4

About 4-[4-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]sulfonylbenzonitrile

4-[4-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]sulfonylbenzonitrile (PubChem CID 55625627) has the molecular formula C19H24N4O3S and a molecular weight of 388.49 g/mol. Its IUPAC name is 4-[4-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]sulfonylbenzonitrile.

Molecular Properties

Compound Name4-[4-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]sulfonylbenzonitrile
PubChem CID55625627
Molecular FormulaC19H24N4O3S
Molecular Weight388.49 g/mol
Exact Mass388.16
IUPAC Name4-[4-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]sulfonylbenzonitrile
SMILESCC(C)(C)c1cnc(CN2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)o1
InChIInChI=1S/C19H24N4O3S/c1-19(2,3)17-13-21-18(26-17)14-22-8-10-23(11-9-22)27(24,25)16-6-4-15(12-20)5-7-16/h4-7,13H,8-11,14H2,1-3H3
InChIKeyRPCVNETYJOQJAA-UHFFFAOYSA-N
XLogP2.35
TPSA90.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[4-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]sulfonylbenzonitrile 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

5-tert-butyl-2-[[4-(3,4-dichlorophenyl)sulfonyl-1,4-diazepan-1-yl]methyl]-1,3-oxazole
CID 95751743
4-[4-(1,3-benzoxazol-2-ylmethyl)piperazin-1-yl]sulfonylbenzonitrile
CID 26668230
4-[4-(cyanomethyl)piperazin-1-yl]sulfonylbenzonitrile
CID 34911945
4-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]sulfonylbenzonitrile
CID 3712210
5-tert-butyl-2-[(4-propylsulfonyl-1,4-diazepan-1-yl)methyl]-1,3-oxazole
CID 95751860
4-[4-(thiophen-3-ylmethyl)piperazin-1-yl]sulfonylbenzonitrile
CID 26545215
5-tert-butyl-2-[[4-(2-methoxyethylsulfonyl)-1,4-diazepan-1-yl]methyl]-1,3-oxazole
CID 95751862
4-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]sulfonylbenzonitrile
CID 26667752
4-[4-[(4,5-dimethoxy-2-methylphenyl)methyl]piperazin-1-yl]sulfonylbenzonitrile
CID 8802430
4-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]sulfonylbenzonitrile
CID 51178795
4-[4-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]piperazin-1-yl]sulfonylbenzonitrile
CID 55922548
4-[4-[(3-pyridin-4-ylphenyl)methyl]piperazin-1-yl]sulfonylbenzonitrile
CID 91800813

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]sulfonylbenzonitrile?
The IUPAC name of 4-[4-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]sulfonylbenzonitrile (CID 55625627) is 4-[4-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]sulfonylbenzonitrile.
What is the SMILES notation for 4-[4-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]sulfonylbenzonitrile?
The canonical SMILES for 4-[4-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]sulfonylbenzonitrile is CC(C)(C)c1cnc(CN2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)o1.
What is the InChIKey of 4-[4-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]sulfonylbenzonitrile?
The InChIKey is RPCVNETYJOQJAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3S/c1-19(2,3)17-13-21-18(26-17)14-22-8-10-23(11-9-22)27(24,25)16-6-4-15(12-20)5-7-16/h4-7,13H,8-11,14H2,1-3H3.
What are the key properties of 4-[4-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]sulfonylbenzonitrile?
4-[4-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]sulfonylbenzonitrile has a molecular weight of 388.49 g/mol, XLogP of 2.35, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]sulfonylbenzonitrile is sourced from PubChem (CID 55625627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).