1-[4-cyano-2-(4-methylphenyl)-1,3-oxazol-5-yl]piperidine-4-carboxamide

C17H18N4O2 — CID 2408550

IUPAC1-[4-cyano-2-(4-methylphenyl)-1,3-oxazol-5-yl]piperidine-4-carboxamide
SMILESCc1ccc(-c2nc(C#N)c(N3CCC(C(N)=O)CC3)o2)cc1
InChIInChI=1S/C17H18N4O2/c1-11-2-4-13(5-3-11)16-20-14(10-18)17(23-16)21-8-6-12(7-9-21)15(19)22/h2-5,12H,6-9H2,1H3,(H2,19,22)
InChIKeyYJWAIERCHXIAAK-UHFFFAOYSA-N
MW310.36 g/mol
LogP2.22
Rot. Bonds3

About 1-[4-cyano-2-(4-methylphenyl)-1,3-oxazol-5-yl]piperidine-4-carboxamide

1-[4-cyano-2-(4-methylphenyl)-1,3-oxazol-5-yl]piperidine-4-carboxamide (PubChem CID 2408550) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 1-[4-cyano-2-(4-methylphenyl)-1,3-oxazol-5-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-cyano-2-(4-methylphenyl)-1,3-oxazol-5-yl]piperidine-4-carboxamide
PubChem CID2408550
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name1-[4-cyano-2-(4-methylphenyl)-1,3-oxazol-5-yl]piperidine-4-carboxamide
SMILESCc1ccc(-c2nc(C#N)c(N3CCC(C(N)=O)CC3)o2)cc1
InChIInChI=1S/C17H18N4O2/c1-11-2-4-13(5-3-11)16-20-14(10-18)17(23-16)21-8-6-12(7-9-21)15(19)22/h2-5,12H,6-9H2,1H3,(H2,19,22)
InChIKeyYJWAIERCHXIAAK-UHFFFAOYSA-N
XLogP2.22
TPSA96.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-cyano-2-(4-methylphenyl)-1,3-oxazol-5-yl]piperidine-4-carboxamide?
The IUPAC name of 1-[4-cyano-2-(4-methylphenyl)-1,3-oxazol-5-yl]piperidine-4-carboxamide (CID 2408550) is 1-[4-cyano-2-(4-methylphenyl)-1,3-oxazol-5-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[4-cyano-2-(4-methylphenyl)-1,3-oxazol-5-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-[4-cyano-2-(4-methylphenyl)-1,3-oxazol-5-yl]piperidine-4-carboxamide is Cc1ccc(-c2nc(C#N)c(N3CCC(C(N)=O)CC3)o2)cc1.
What is the InChIKey of 1-[4-cyano-2-(4-methylphenyl)-1,3-oxazol-5-yl]piperidine-4-carboxamide?
The InChIKey is YJWAIERCHXIAAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-11-2-4-13(5-3-11)16-20-14(10-18)17(23-16)21-8-6-12(7-9-21)15(19)22/h2-5,12H,6-9H2,1H3,(H2,19,22).
What are the key properties of 1-[4-cyano-2-(4-methylphenyl)-1,3-oxazol-5-yl]piperidine-4-carboxamide?
1-[4-cyano-2-(4-methylphenyl)-1,3-oxazol-5-yl]piperidine-4-carboxamide has a molecular weight of 310.36 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-cyano-2-(4-methylphenyl)-1,3-oxazol-5-yl]piperidine-4-carboxamide is sourced from PubChem (CID 2408550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).