5-[4-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperazin-1-yl]-2-phenyl-1,3-oxazole-4-carbonitrile

C18H18N6O2 — CID 35674820

IUPAC5-[4-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperazin-1-yl]-2-phenyl-1,3-oxazole-4-carbonitrile
SMILESCc1nonc1CN1CCN(c2oc(-c3ccccc3)nc2C#N)CC1
InChIInChI=1S/C18H18N6O2/c1-13-16(22-26-21-13)12-23-7-9-24(10-8-23)18-15(11-19)20-17(25-18)14-5-3-2-4-6-14/h2-6H,7-10,12H2,1H3
InChIKeyFIXKSBJPGNBQOS-UHFFFAOYSA-N
MW350.38 g/mol
LogP2.23
Rot. Bonds4

About 5-[4-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperazin-1-yl]-2-phenyl-1,3-oxazole-4-carbonitrile

5-[4-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperazin-1-yl]-2-phenyl-1,3-oxazole-4-carbonitrile (PubChem CID 35674820) has the molecular formula C18H18N6O2 and a molecular weight of 350.38 g/mol. Its IUPAC name is 5-[4-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperazin-1-yl]-2-phenyl-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name5-[4-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperazin-1-yl]-2-phenyl-1,3-oxazole-4-carbonitrile
PubChem CID35674820
Molecular FormulaC18H18N6O2
Molecular Weight350.38 g/mol
Exact Mass350.15
IUPAC Name5-[4-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperazin-1-yl]-2-phenyl-1,3-oxazole-4-carbonitrile
SMILESCc1nonc1CN1CCN(c2oc(-c3ccccc3)nc2C#N)CC1
InChIInChI=1S/C18H18N6O2/c1-13-16(22-26-21-13)12-23-7-9-24(10-8-23)18-15(11-19)20-17(25-18)14-5-3-2-4-6-14/h2-6H,7-10,12H2,1H3
InChIKeyFIXKSBJPGNBQOS-UHFFFAOYSA-N
XLogP2.23
TPSA95.22 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperazin-1-yl]-2-phenyl-1,3-oxazole-4-carbonitrile?
The IUPAC name of 5-[4-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperazin-1-yl]-2-phenyl-1,3-oxazole-4-carbonitrile (CID 35674820) is 5-[4-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperazin-1-yl]-2-phenyl-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 5-[4-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperazin-1-yl]-2-phenyl-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 5-[4-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperazin-1-yl]-2-phenyl-1,3-oxazole-4-carbonitrile is Cc1nonc1CN1CCN(c2oc(-c3ccccc3)nc2C#N)CC1.
What is the InChIKey of 5-[4-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperazin-1-yl]-2-phenyl-1,3-oxazole-4-carbonitrile?
The InChIKey is FIXKSBJPGNBQOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O2/c1-13-16(22-26-21-13)12-23-7-9-24(10-8-23)18-15(11-19)20-17(25-18)14-5-3-2-4-6-14/h2-6H,7-10,12H2,1H3.
What are the key properties of 5-[4-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperazin-1-yl]-2-phenyl-1,3-oxazole-4-carbonitrile?
5-[4-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperazin-1-yl]-2-phenyl-1,3-oxazole-4-carbonitrile has a molecular weight of 350.38 g/mol, XLogP of 2.23, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperazin-1-yl]-2-phenyl-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 35674820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).