5-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-ethyl-2-(ethylamino)pentanenitrile

C14H23N3OS — CID 106924769

IUPAC5-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-ethyl-2-(ethylamino)pentanenitrile
SMILESCCNC(C#N)(CC)CCCSc1nc(C)c(C)o1
InChIInChI=1S/C14H23N3OS/c1-5-14(10-15,16-6-2)8-7-9-19-13-17-11(3)12(4)18-13/h16H,5-9H2,1-4H3
InChIKeyODLKSIUGWKFLAI-UHFFFAOYSA-N
MW281.42 g/mol
LogP3.45
Rot. Bonds8

About 5-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-ethyl-2-(ethylamino)pentanenitrile

5-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-ethyl-2-(ethylamino)pentanenitrile (PubChem CID 106924769) has the molecular formula C14H23N3OS and a molecular weight of 281.42 g/mol. Its IUPAC name is 5-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-ethyl-2-(ethylamino)pentanenitrile.

Molecular Properties

Compound Name5-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-ethyl-2-(ethylamino)pentanenitrile
PubChem CID106924769
Molecular FormulaC14H23N3OS
Molecular Weight281.42 g/mol
Exact Mass281.16
IUPAC Name5-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-ethyl-2-(ethylamino)pentanenitrile
SMILESCCNC(C#N)(CC)CCCSc1nc(C)c(C)o1
InChIInChI=1S/C14H23N3OS/c1-5-14(10-15,16-6-2)8-7-9-19-13-17-11(3)12(4)18-13/h16H,5-9H2,1-4H3
InChIKeyODLKSIUGWKFLAI-UHFFFAOYSA-N
XLogP3.45
TPSA61.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-propylpropanamide
CID 71684783
2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-methyl-N-(2-methylcyclohexyl)butanamide
CID 71896980
N-cyclohexyl-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetamide
CID 39922987
2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-ethylacetamide
CID 40129274
2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 40129276
2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(3-methylbutan-2-yl)acetamide
CID 42896222
N-(cyclohexylmethyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanamide
CID 47018615
2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-[(2S)-3-methylbutan-2-yl]acetamide
CID 51659552
2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(4-methylcyclohexyl)acetamide
CID 52229493
(2R)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-propylpropanamide
CID 52581849
(2S)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-propylpropanamide
CID 52581850
N-(1-cyclopropylethyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetamide
CID 56812047

Frequently Asked Questions

What is the IUPAC name of 5-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-ethyl-2-(ethylamino)pentanenitrile?
The IUPAC name of 5-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-ethyl-2-(ethylamino)pentanenitrile (CID 106924769) is 5-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-ethyl-2-(ethylamino)pentanenitrile.
What is the SMILES notation for 5-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-ethyl-2-(ethylamino)pentanenitrile?
The canonical SMILES for 5-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-ethyl-2-(ethylamino)pentanenitrile is CCNC(C#N)(CC)CCCSc1nc(C)c(C)o1.
What is the InChIKey of 5-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-ethyl-2-(ethylamino)pentanenitrile?
The InChIKey is ODLKSIUGWKFLAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3OS/c1-5-14(10-15,16-6-2)8-7-9-19-13-17-11(3)12(4)18-13/h16H,5-9H2,1-4H3.
What are the key properties of 5-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-ethyl-2-(ethylamino)pentanenitrile?
5-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-ethyl-2-(ethylamino)pentanenitrile has a molecular weight of 281.42 g/mol, XLogP of 3.45, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-ethyl-2-(ethylamino)pentanenitrile is sourced from PubChem (CID 106924769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).