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

C18H17N5O2 — CID 39835355

IUPAC2-methyl-5-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-1,3-oxazole-4-carbonitrile
SMILESCc1nc(C#N)c(N2CCC(c3nc(-c4ccccc4)no3)CC2)o1
InChIInChI=1S/C18H17N5O2/c1-12-20-15(11-19)18(24-12)23-9-7-14(8-10-23)17-21-16(22-25-17)13-5-3-2-4-6-13/h2-6,14H,7-10H2,1H3
InChIKeyWHTXIPBREJCHLU-UHFFFAOYSA-N
MW335.37 g/mol
LogP3.29
Rot. Bonds3

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

2-methyl-5-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-1,3-oxazole-4-carbonitrile (PubChem CID 39835355) has the molecular formula C18H17N5O2 and a molecular weight of 335.37 g/mol. Its IUPAC name is 2-methyl-5-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name2-methyl-5-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-1,3-oxazole-4-carbonitrile
PubChem CID39835355
Molecular FormulaC18H17N5O2
Molecular Weight335.37 g/mol
Exact Mass335.14
IUPAC Name2-methyl-5-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-1,3-oxazole-4-carbonitrile
SMILESCc1nc(C#N)c(N2CCC(c3nc(-c4ccccc4)no3)CC2)o1
InChIInChI=1S/C18H17N5O2/c1-12-20-15(11-19)18(24-12)23-9-7-14(8-10-23)17-21-16(22-25-17)13-5-3-2-4-6-13/h2-6,14H,7-10H2,1H3
InChIKeyWHTXIPBREJCHLU-UHFFFAOYSA-N
XLogP3.29
TPSA91.98 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-methyl-5-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-1,3-oxazole-4-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-1,3-oxazole-4-carbonitrile?
The IUPAC name of 2-methyl-5-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-1,3-oxazole-4-carbonitrile (CID 39835355) is 2-methyl-5-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 2-methyl-5-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 2-methyl-5-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-1,3-oxazole-4-carbonitrile is Cc1nc(C#N)c(N2CCC(c3nc(-c4ccccc4)no3)CC2)o1.
What is the InChIKey of 2-methyl-5-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-1,3-oxazole-4-carbonitrile?
The InChIKey is WHTXIPBREJCHLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O2/c1-12-20-15(11-19)18(24-12)23-9-7-14(8-10-23)17-21-16(22-25-17)13-5-3-2-4-6-13/h2-6,14H,7-10H2,1H3.
What are the key properties of 2-methyl-5-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-1,3-oxazole-4-carbonitrile?
2-methyl-5-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-1,3-oxazole-4-carbonitrile has a molecular weight of 335.37 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 39835355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).