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

C14H18N4O2 — CID 139582768

IUPAC1-[4-cyano-2-(2-methylcyclopropyl)-1,3-oxazol-5-yl]piperidine-4-carboxamide
SMILESCC1CC1c1nc(C#N)c(N2CCC(C(N)=O)CC2)o1
InChIInChI=1S/C14H18N4O2/c1-8-6-10(8)13-17-11(7-15)14(20-13)18-4-2-9(3-5-18)12(16)19/h8-10H,2-6H2,1H3,(H2,16,19)
InChIKeyMJSIJWCYSWNYEL-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.37
Rot. Bonds3

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

1-[4-cyano-2-(2-methylcyclopropyl)-1,3-oxazol-5-yl]piperidine-4-carboxamide (PubChem CID 139582768) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 1-[4-cyano-2-(2-methylcyclopropyl)-1,3-oxazol-5-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-cyano-2-(2-methylcyclopropyl)-1,3-oxazol-5-yl]piperidine-4-carboxamide
PubChem CID139582768
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name1-[4-cyano-2-(2-methylcyclopropyl)-1,3-oxazol-5-yl]piperidine-4-carboxamide
SMILESCC1CC1c1nc(C#N)c(N2CCC(C(N)=O)CC2)o1
InChIInChI=1S/C14H18N4O2/c1-8-6-10(8)13-17-11(7-15)14(20-13)18-4-2-9(3-5-18)12(16)19/h8-10H,2-6H2,1H3,(H2,16,19)
InChIKeyMJSIJWCYSWNYEL-UHFFFAOYSA-N
XLogP1.37
TPSA96.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.37
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-(2-methylcyclopropyl)-1,3-oxazol-5-yl]piperidine-4-carboxamide?
The IUPAC name of 1-[4-cyano-2-(2-methylcyclopropyl)-1,3-oxazol-5-yl]piperidine-4-carboxamide (CID 139582768) is 1-[4-cyano-2-(2-methylcyclopropyl)-1,3-oxazol-5-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[4-cyano-2-(2-methylcyclopropyl)-1,3-oxazol-5-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-[4-cyano-2-(2-methylcyclopropyl)-1,3-oxazol-5-yl]piperidine-4-carboxamide is CC1CC1c1nc(C#N)c(N2CCC(C(N)=O)CC2)o1.
What is the InChIKey of 1-[4-cyano-2-(2-methylcyclopropyl)-1,3-oxazol-5-yl]piperidine-4-carboxamide?
The InChIKey is MJSIJWCYSWNYEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-8-6-10(8)13-17-11(7-15)14(20-13)18-4-2-9(3-5-18)12(16)19/h8-10H,2-6H2,1H3,(H2,16,19).
What are the key properties of 1-[4-cyano-2-(2-methylcyclopropyl)-1,3-oxazol-5-yl]piperidine-4-carboxamide?
1-[4-cyano-2-(2-methylcyclopropyl)-1,3-oxazol-5-yl]piperidine-4-carboxamide has a molecular weight of 274.32 g/mol, XLogP of 1.37, 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-(2-methylcyclopropyl)-1,3-oxazol-5-yl]piperidine-4-carboxamide is sourced from PubChem (CID 139582768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).