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

C11H17N3OS — CID 106924711

IUPAC2-amino-2-ethyl-5-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pentanenitrile
SMILESCCC(N)(C#N)CCCSc1nc(C)co1
InChIInChI=1S/C11H17N3OS/c1-3-11(13,8-12)5-4-6-16-10-14-9(2)7-15-10/h7H,3-6,13H2,1-2H3
InChIKeyFANFTBJUROWCES-UHFFFAOYSA-N
MW239.34 g/mol
LogP2.49
Rot. Bonds6

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

2-amino-2-ethyl-5-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pentanenitrile (PubChem CID 106924711) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is 2-amino-2-ethyl-5-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pentanenitrile.

Molecular Properties

Compound Name2-amino-2-ethyl-5-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pentanenitrile
PubChem CID106924711
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC Name2-amino-2-ethyl-5-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pentanenitrile
SMILESCCC(N)(C#N)CCCSc1nc(C)co1
InChIInChI=1S/C11H17N3OS/c1-3-11(13,8-12)5-4-6-16-10-14-9(2)7-15-10/h7H,3-6,13H2,1-2H3
InChIKeyFANFTBJUROWCES-UHFFFAOYSA-N
XLogP2.49
TPSA75.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 52.49
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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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-ethyl-5-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pentanenitrile?
The IUPAC name of 2-amino-2-ethyl-5-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pentanenitrile (CID 106924711) is 2-amino-2-ethyl-5-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pentanenitrile.
What is the SMILES notation for 2-amino-2-ethyl-5-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pentanenitrile?
The canonical SMILES for 2-amino-2-ethyl-5-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pentanenitrile is CCC(N)(C#N)CCCSc1nc(C)co1.
What is the InChIKey of 2-amino-2-ethyl-5-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pentanenitrile?
The InChIKey is FANFTBJUROWCES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c1-3-11(13,8-12)5-4-6-16-10-14-9(2)7-15-10/h7H,3-6,13H2,1-2H3.
What are the key properties of 2-amino-2-ethyl-5-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pentanenitrile?
2-amino-2-ethyl-5-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pentanenitrile has a molecular weight of 239.34 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-ethyl-5-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pentanenitrile is sourced from PubChem (CID 106924711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).