N-(2-cyanocyclopentyl)-4-methyl-1,3-oxazole-5-carboxamide

C11H13N3O2 — CID 79605102

IUPACN-(2-cyanocyclopentyl)-4-methyl-1,3-oxazole-5-carboxamide
SMILESCc1ncoc1C(=O)NC1CCCC1C#N
InChIInChI=1S/C11H13N3O2/c1-7-10(16-6-13-7)11(15)14-9-4-2-3-8(9)5-12/h6,8-9H,2-4H2,1H3,(H,14,15)
InChIKeyQOJPXJKSTSAVAV-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.41
Rot. Bonds2

About N-(2-cyanocyclopentyl)-4-methyl-1,3-oxazole-5-carboxamide

N-(2-cyanocyclopentyl)-4-methyl-1,3-oxazole-5-carboxamide (PubChem CID 79605102) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is N-(2-cyanocyclopentyl)-4-methyl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-cyanocyclopentyl)-4-methyl-1,3-oxazole-5-carboxamide
PubChem CID79605102
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC NameN-(2-cyanocyclopentyl)-4-methyl-1,3-oxazole-5-carboxamide
SMILESCc1ncoc1C(=O)NC1CCCC1C#N
InChIInChI=1S/C11H13N3O2/c1-7-10(16-6-13-7)11(15)14-9-4-2-3-8(9)5-12/h6,8-9H,2-4H2,1H3,(H,14,15)
InChIKeyQOJPXJKSTSAVAV-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)-4-methyl-1,3-oxazole-5-carboxamide?
The IUPAC name of N-(2-cyanocyclopentyl)-4-methyl-1,3-oxazole-5-carboxamide (CID 79605102) is N-(2-cyanocyclopentyl)-4-methyl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-(2-cyanocyclopentyl)-4-methyl-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-(2-cyanocyclopentyl)-4-methyl-1,3-oxazole-5-carboxamide is Cc1ncoc1C(=O)NC1CCCC1C#N.
What is the InChIKey of N-(2-cyanocyclopentyl)-4-methyl-1,3-oxazole-5-carboxamide?
The InChIKey is QOJPXJKSTSAVAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-7-10(16-6-13-7)11(15)14-9-4-2-3-8(9)5-12/h6,8-9H,2-4H2,1H3,(H,14,15).
What are the key properties of N-(2-cyanocyclopentyl)-4-methyl-1,3-oxazole-5-carboxamide?
N-(2-cyanocyclopentyl)-4-methyl-1,3-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)-4-methyl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 79605102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).