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

C18H16ClN5O2 — CID 167819624

IUPAC5-[4-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2-methyl-1,3-oxazole-4-carbonitrile
SMILESCc1nc(C#N)c(N2CCC(c3nnc(-c4cccc(Cl)c4)o3)CC2)o1
InChIInChI=1S/C18H16ClN5O2/c1-11-21-15(10-20)18(25-11)24-7-5-12(6-8-24)16-22-23-17(26-16)13-3-2-4-14(19)9-13/h2-4,9,12H,5-8H2,1H3
InChIKeyNKGZUZPBOULVEC-UHFFFAOYSA-N
MW369.81 g/mol
LogP3.94
Rot. Bonds3

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

5-[4-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2-methyl-1,3-oxazole-4-carbonitrile (PubChem CID 167819624) has the molecular formula C18H16ClN5O2 and a molecular weight of 369.81 g/mol. Its IUPAC name is 5-[4-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2-methyl-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name5-[4-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2-methyl-1,3-oxazole-4-carbonitrile
PubChem CID167819624
Molecular FormulaC18H16ClN5O2
Molecular Weight369.81 g/mol
Exact Mass369.10
IUPAC Name5-[4-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2-methyl-1,3-oxazole-4-carbonitrile
SMILESCc1nc(C#N)c(N2CCC(c3nnc(-c4cccc(Cl)c4)o3)CC2)o1
InChIInChI=1S/C18H16ClN5O2/c1-11-21-15(10-20)18(25-11)24-7-5-12(6-8-24)16-22-23-17(26-16)13-3-2-4-14(19)9-13/h2-4,9,12H,5-8H2,1H3
InChIKeyNKGZUZPBOULVEC-UHFFFAOYSA-N
XLogP3.94
TPSA91.98 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.81
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2-methyl-1,3-oxazole-4-carbonitrile?
The IUPAC name of 5-[4-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2-methyl-1,3-oxazole-4-carbonitrile (CID 167819624) is 5-[4-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2-methyl-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 5-[4-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2-methyl-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 5-[4-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2-methyl-1,3-oxazole-4-carbonitrile is Cc1nc(C#N)c(N2CCC(c3nnc(-c4cccc(Cl)c4)o3)CC2)o1.
What is the InChIKey of 5-[4-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2-methyl-1,3-oxazole-4-carbonitrile?
The InChIKey is NKGZUZPBOULVEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN5O2/c1-11-21-15(10-20)18(25-11)24-7-5-12(6-8-24)16-22-23-17(26-16)13-3-2-4-14(19)9-13/h2-4,9,12H,5-8H2,1H3.
What are the key properties of 5-[4-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2-methyl-1,3-oxazole-4-carbonitrile?
5-[4-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2-methyl-1,3-oxazole-4-carbonitrile has a molecular weight of 369.81 g/mol, XLogP of 3.94, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2-methyl-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 167819624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).