3-cyano-4-[4-[1,3-oxazol-2-yl(phenyl)methyl]piperazin-1-yl]benzamide

C22H21N5O2 — CID 68993605

IUPAC3-cyano-4-[4-[1,3-oxazol-2-yl(phenyl)methyl]piperazin-1-yl]benzamide
SMILESN#Cc1cc(C(N)=O)ccc1N1CCN(C(c2ccccc2)c2ncco2)CC1
InChIInChI=1S/C22H21N5O2/c23-15-18-14-17(21(24)28)6-7-19(18)26-9-11-27(12-10-26)20(22-25-8-13-29-22)16-4-2-1-3-5-16/h1-8,13-14,20H,9-12H2,(H2,24,28)
InChIKeyUFVXOIBZNJTZCD-UHFFFAOYSA-N
MW387.44 g/mol
LogP2.56
Rot. Bonds5

About 3-cyano-4-[4-[1,3-oxazol-2-yl(phenyl)methyl]piperazin-1-yl]benzamide

3-cyano-4-[4-[1,3-oxazol-2-yl(phenyl)methyl]piperazin-1-yl]benzamide (PubChem CID 68993605) has the molecular formula C22H21N5O2 and a molecular weight of 387.44 g/mol. Its IUPAC name is 3-cyano-4-[4-[1,3-oxazol-2-yl(phenyl)methyl]piperazin-1-yl]benzamide.

Molecular Properties

Compound Name3-cyano-4-[4-[1,3-oxazol-2-yl(phenyl)methyl]piperazin-1-yl]benzamide
PubChem CID68993605
Molecular FormulaC22H21N5O2
Molecular Weight387.44 g/mol
Exact Mass387.17
IUPAC Name3-cyano-4-[4-[1,3-oxazol-2-yl(phenyl)methyl]piperazin-1-yl]benzamide
SMILESN#Cc1cc(C(N)=O)ccc1N1CCN(C(c2ccccc2)c2ncco2)CC1
InChIInChI=1S/C22H21N5O2/c23-15-18-14-17(21(24)28)6-7-19(18)26-9-11-27(12-10-26)20(22-25-8-13-29-22)16-4-2-1-3-5-16/h1-8,13-14,20H,9-12H2,(H2,24,28)
InChIKeyUFVXOIBZNJTZCD-UHFFFAOYSA-N
XLogP2.56
TPSA99.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-cyano-4-[4-[1,3-oxazol-2-yl(phenyl)methyl]piperazin-1-yl]phenyl]oxolane-3-carboxamide
CID 77334644
3-methyl-4-[4-[1,3-oxazol-2-yl(phenyl)methyl]piperazin-1-yl]aniline
CID 68872468
1-[3-fluoro-4-[4-[1,3-oxazol-2-yl(phenyl)methyl]piperazin-1-yl]phenyl]propan-2-one
CID 158828969
5-(3-ethyl-2-oxopentyl)-2-[4-[(4-isocyanophenyl)-(1,3-oxazol-2-yl)methyl]piperazin-1-yl]benzonitrile
CID 161127901
5-amino-2-[4-[phenyl(pyridin-3-yl)methyl]piperazin-1-yl]benzonitrile
CID 68871969
4-(4-benzhydrylpiperazin-1-yl)-3-nitrobenzamide
CID 5212328
2-[4-(2-cyanophenyl)-1,4-diazepan-1-yl]-2-phenylacetamide
CID 47055802
4-(4-benzhydrylpiperazin-1-yl)-3-[(3,5-dimethylphenyl)carbamoylamino]benzamide
CID 11249599
N-[3-cyano-4-[4-[(2-methylphenyl)-phenylmethyl]piperazin-1-yl]phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 68875724
3-(4-benzhydrylpiperazin-1-yl)-4-nitrobenzohydrazide
CID 142948725
3-nitro-4-(4-pyridin-2-ylpiperazin-1-yl)benzamide
CID 9311043
3-methyl-4-[3-phenyl-3-(4-phenylpiperazin-1-yl)prop-1-ynyl]benzamide
CID 102120697

Frequently Asked Questions

What is the IUPAC name of 3-cyano-4-[4-[1,3-oxazol-2-yl(phenyl)methyl]piperazin-1-yl]benzamide?
The IUPAC name of 3-cyano-4-[4-[1,3-oxazol-2-yl(phenyl)methyl]piperazin-1-yl]benzamide (CID 68993605) is 3-cyano-4-[4-[1,3-oxazol-2-yl(phenyl)methyl]piperazin-1-yl]benzamide.
What is the SMILES notation for 3-cyano-4-[4-[1,3-oxazol-2-yl(phenyl)methyl]piperazin-1-yl]benzamide?
The canonical SMILES for 3-cyano-4-[4-[1,3-oxazol-2-yl(phenyl)methyl]piperazin-1-yl]benzamide is N#Cc1cc(C(N)=O)ccc1N1CCN(C(c2ccccc2)c2ncco2)CC1.
What is the InChIKey of 3-cyano-4-[4-[1,3-oxazol-2-yl(phenyl)methyl]piperazin-1-yl]benzamide?
The InChIKey is UFVXOIBZNJTZCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O2/c23-15-18-14-17(21(24)28)6-7-19(18)26-9-11-27(12-10-26)20(22-25-8-13-29-22)16-4-2-1-3-5-16/h1-8,13-14,20H,9-12H2,(H2,24,28).
What are the key properties of 3-cyano-4-[4-[1,3-oxazol-2-yl(phenyl)methyl]piperazin-1-yl]benzamide?
3-cyano-4-[4-[1,3-oxazol-2-yl(phenyl)methyl]piperazin-1-yl]benzamide has a molecular weight of 387.44 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-4-[4-[1,3-oxazol-2-yl(phenyl)methyl]piperazin-1-yl]benzamide is sourced from PubChem (CID 68993605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).