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

C11H13N3O2 — CID 62961249

IUPACN-(2-cyanocyclopentyl)-3-methyl-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)NC2CCCC2C#N)on1
InChIInChI=1S/C11H13N3O2/c1-7-5-10(16-14-7)11(15)13-9-4-2-3-8(9)6-12/h5,8-9H,2-4H2,1H3,(H,13,15)
InChIKeyHPTVKMOGXRCCOZ-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.41
Rot. Bonds2

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

N-(2-cyanocyclopentyl)-3-methyl-1,2-oxazole-5-carboxamide (PubChem CID 62961249) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is N-(2-cyanocyclopentyl)-3-methyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-cyanocyclopentyl)-3-methyl-1,2-oxazole-5-carboxamide
PubChem CID62961249
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC NameN-(2-cyanocyclopentyl)-3-methyl-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)NC2CCCC2C#N)on1
InChIInChI=1S/C11H13N3O2/c1-7-5-10(16-14-7)11(15)13-9-4-2-3-8(9)6-12/h5,8-9H,2-4H2,1H3,(H,13,15)
InChIKeyHPTVKMOGXRCCOZ-UHFFFAOYSA-N
XLogP1.41
TPSA78.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyanocyclopentyl)-3-methyl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(2-cyanocyclopentyl)-3-methyl-1,2-oxazole-5-carboxamide (CID 62961249) is N-(2-cyanocyclopentyl)-3-methyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(2-cyanocyclopentyl)-3-methyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(2-cyanocyclopentyl)-3-methyl-1,2-oxazole-5-carboxamide is Cc1cc(C(=O)NC2CCCC2C#N)on1.
What is the InChIKey of N-(2-cyanocyclopentyl)-3-methyl-1,2-oxazole-5-carboxamide?
The InChIKey is HPTVKMOGXRCCOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-7-5-10(16-14-7)11(15)13-9-4-2-3-8(9)6-12/h5,8-9H,2-4H2,1H3,(H,13,15).
What are the key properties of N-(2-cyanocyclopentyl)-3-methyl-1,2-oxazole-5-carboxamide?
N-(2-cyanocyclopentyl)-3-methyl-1,2-oxazole-5-carboxamide has a molecular weight of 219.24 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanocyclopentyl)-3-methyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 62961249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).