N-(1-cyanocyclopentyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetamide

C13H17N3O2S — CID 75414595

IUPACN-(1-cyanocyclopentyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetamide
SMILESCc1nc(SCC(=O)NC2(C#N)CCCC2)oc1C
InChIInChI=1S/C13H17N3O2S/c1-9-10(2)18-12(15-9)19-7-11(17)16-13(8-14)5-3-4-6-13/h3-7H2,1-2H3,(H,16,17)
InChIKeyPOYUELFVSJXVSL-UHFFFAOYSA-N
MW279.36 g/mol
LogP2.34
Rot. Bonds4

About N-(1-cyanocyclopentyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetamide

N-(1-cyanocyclopentyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetamide (PubChem CID 75414595) has the molecular formula C13H17N3O2S and a molecular weight of 279.36 g/mol. Its IUPAC name is N-(1-cyanocyclopentyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(1-cyanocyclopentyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetamide
PubChem CID75414595
Molecular FormulaC13H17N3O2S
Molecular Weight279.36 g/mol
Exact Mass279.10
IUPAC NameN-(1-cyanocyclopentyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetamide
SMILESCc1nc(SCC(=O)NC2(C#N)CCCC2)oc1C
InChIInChI=1S/C13H17N3O2S/c1-9-10(2)18-12(15-9)19-7-11(17)16-13(8-14)5-3-4-6-13/h3-7H2,1-2H3,(H,16,17)
InChIKeyPOYUELFVSJXVSL-UHFFFAOYSA-N
XLogP2.34
TPSA78.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclopentyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(1-cyanocyclopentyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetamide (CID 75414595) is N-(1-cyanocyclopentyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(1-cyanocyclopentyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(1-cyanocyclopentyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetamide is Cc1nc(SCC(=O)NC2(C#N)CCCC2)oc1C.
What is the InChIKey of N-(1-cyanocyclopentyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetamide?
The InChIKey is POYUELFVSJXVSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S/c1-9-10(2)18-12(15-9)19-7-11(17)16-13(8-14)5-3-4-6-13/h3-7H2,1-2H3,(H,16,17).
What are the key properties of N-(1-cyanocyclopentyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetamide?
N-(1-cyanocyclopentyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetamide has a molecular weight of 279.36 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclopentyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 75414595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).