2-(ethylamino)-2-methyl-4-(1,3-oxazol-2-ylsulfanyl)butanenitrile

C10H15N3OS — CID 106924664

IUPAC2-(ethylamino)-2-methyl-4-(1,3-oxazol-2-ylsulfanyl)butanenitrile
SMILESCCNC(C)(C#N)CCSc1ncco1
InChIInChI=1S/C10H15N3OS/c1-3-13-10(2,8-11)4-7-15-9-12-5-6-14-9/h5-6,13H,3-4,7H2,1-2H3
InChIKeyGTYVWUMJFJYSKJ-UHFFFAOYSA-N
MW225.32 g/mol
LogP2.05
Rot. Bonds6

About 2-(ethylamino)-2-methyl-4-(1,3-oxazol-2-ylsulfanyl)butanenitrile

2-(ethylamino)-2-methyl-4-(1,3-oxazol-2-ylsulfanyl)butanenitrile (PubChem CID 106924664) has the molecular formula C10H15N3OS and a molecular weight of 225.32 g/mol. Its IUPAC name is 2-(ethylamino)-2-methyl-4-(1,3-oxazol-2-ylsulfanyl)butanenitrile.

Molecular Properties

Compound Name2-(ethylamino)-2-methyl-4-(1,3-oxazol-2-ylsulfanyl)butanenitrile
PubChem CID106924664
Molecular FormulaC10H15N3OS
Molecular Weight225.32 g/mol
Exact Mass225.09
IUPAC Name2-(ethylamino)-2-methyl-4-(1,3-oxazol-2-ylsulfanyl)butanenitrile
SMILESCCNC(C)(C#N)CCSc1ncco1
InChIInChI=1S/C10H15N3OS/c1-3-13-10(2,8-11)4-7-15-9-12-5-6-14-9/h5-6,13H,3-4,7H2,1-2H3
InChIKeyGTYVWUMJFJYSKJ-UHFFFAOYSA-N
XLogP2.05
TPSA61.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.32
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-2-methyl-4-(1,3-oxazol-2-ylsulfanyl)butanenitrile?
The IUPAC name of 2-(ethylamino)-2-methyl-4-(1,3-oxazol-2-ylsulfanyl)butanenitrile (CID 106924664) is 2-(ethylamino)-2-methyl-4-(1,3-oxazol-2-ylsulfanyl)butanenitrile.
What is the SMILES notation for 2-(ethylamino)-2-methyl-4-(1,3-oxazol-2-ylsulfanyl)butanenitrile?
The canonical SMILES for 2-(ethylamino)-2-methyl-4-(1,3-oxazol-2-ylsulfanyl)butanenitrile is CCNC(C)(C#N)CCSc1ncco1.
What is the InChIKey of 2-(ethylamino)-2-methyl-4-(1,3-oxazol-2-ylsulfanyl)butanenitrile?
The InChIKey is GTYVWUMJFJYSKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3OS/c1-3-13-10(2,8-11)4-7-15-9-12-5-6-14-9/h5-6,13H,3-4,7H2,1-2H3.
What are the key properties of 2-(ethylamino)-2-methyl-4-(1,3-oxazol-2-ylsulfanyl)butanenitrile?
2-(ethylamino)-2-methyl-4-(1,3-oxazol-2-ylsulfanyl)butanenitrile has a molecular weight of 225.32 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-2-methyl-4-(1,3-oxazol-2-ylsulfanyl)butanenitrile is sourced from PubChem (CID 106924664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).