N-(1-cyanocyclooctyl)-3-methyl-1,2-oxazole-5-carboxamide

C14H19N3O2 — CID 60968675

IUPACN-(1-cyanocyclooctyl)-3-methyl-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)NC2(C#N)CCCCCCC2)on1
InChIInChI=1S/C14H19N3O2/c1-11-9-12(19-17-11)13(18)16-14(10-15)7-5-3-2-4-6-8-14/h9H,2-8H2,1H3,(H,16,18)
InChIKeyQRKHXCGMTGGKOZ-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.72
Rot. Bonds2

About N-(1-cyanocyclooctyl)-3-methyl-1,2-oxazole-5-carboxamide

N-(1-cyanocyclooctyl)-3-methyl-1,2-oxazole-5-carboxamide (PubChem CID 60968675) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is N-(1-cyanocyclooctyl)-3-methyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-cyanocyclooctyl)-3-methyl-1,2-oxazole-5-carboxamide
PubChem CID60968675
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC NameN-(1-cyanocyclooctyl)-3-methyl-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)NC2(C#N)CCCCCCC2)on1
InChIInChI=1S/C14H19N3O2/c1-11-9-12(19-17-11)13(18)16-14(10-15)7-5-3-2-4-6-8-14/h9H,2-8H2,1H3,(H,16,18)
InChIKeyQRKHXCGMTGGKOZ-UHFFFAOYSA-N
XLogP2.72
TPSA78.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclooctyl)-3-methyl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(1-cyanocyclooctyl)-3-methyl-1,2-oxazole-5-carboxamide (CID 60968675) is N-(1-cyanocyclooctyl)-3-methyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(1-cyanocyclooctyl)-3-methyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(1-cyanocyclooctyl)-3-methyl-1,2-oxazole-5-carboxamide is Cc1cc(C(=O)NC2(C#N)CCCCCCC2)on1.
What is the InChIKey of N-(1-cyanocyclooctyl)-3-methyl-1,2-oxazole-5-carboxamide?
The InChIKey is QRKHXCGMTGGKOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-11-9-12(19-17-11)13(18)16-14(10-15)7-5-3-2-4-6-8-14/h9H,2-8H2,1H3,(H,16,18).
What are the key properties of N-(1-cyanocyclooctyl)-3-methyl-1,2-oxazole-5-carboxamide?
N-(1-cyanocyclooctyl)-3-methyl-1,2-oxazole-5-carboxamide has a molecular weight of 261.32 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclooctyl)-3-methyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 60968675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).