2-(cyclopropylamino)-3-(1,3-oxazol-2-ylsulfanyl)-2-phenylpropanenitrile

C15H15N3OS — CID 106924673

IUPAC2-(cyclopropylamino)-3-(1,3-oxazol-2-ylsulfanyl)-2-phenylpropanenitrile
SMILESN#CC(CSc1ncco1)(NC1CC1)c1ccccc1
InChIInChI=1S/C15H15N3OS/c16-10-15(18-13-6-7-13,12-4-2-1-3-5-12)11-20-14-17-8-9-19-14/h1-5,8-9,13,18H,6-7,11H2
InChIKeySXGSJGXVUNCQCM-UHFFFAOYSA-N
MW285.37 g/mol
LogP2.94
Rot. Bonds6

About 2-(cyclopropylamino)-3-(1,3-oxazol-2-ylsulfanyl)-2-phenylpropanenitrile

2-(cyclopropylamino)-3-(1,3-oxazol-2-ylsulfanyl)-2-phenylpropanenitrile (PubChem CID 106924673) has the molecular formula C15H15N3OS and a molecular weight of 285.37 g/mol. Its IUPAC name is 2-(cyclopropylamino)-3-(1,3-oxazol-2-ylsulfanyl)-2-phenylpropanenitrile.

Molecular Properties

Compound Name2-(cyclopropylamino)-3-(1,3-oxazol-2-ylsulfanyl)-2-phenylpropanenitrile
PubChem CID106924673
Molecular FormulaC15H15N3OS
Molecular Weight285.37 g/mol
Exact Mass285.09
IUPAC Name2-(cyclopropylamino)-3-(1,3-oxazol-2-ylsulfanyl)-2-phenylpropanenitrile
SMILESN#CC(CSc1ncco1)(NC1CC1)c1ccccc1
InChIInChI=1S/C15H15N3OS/c16-10-15(18-13-6-7-13,12-4-2-1-3-5-12)11-20-14-17-8-9-19-14/h1-5,8-9,13,18H,6-7,11H2
InChIKeySXGSJGXVUNCQCM-UHFFFAOYSA-N
XLogP2.94
TPSA61.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-3-(1,3-oxazol-2-ylsulfanyl)-2-phenylpropanenitrile?
The IUPAC name of 2-(cyclopropylamino)-3-(1,3-oxazol-2-ylsulfanyl)-2-phenylpropanenitrile (CID 106924673) is 2-(cyclopropylamino)-3-(1,3-oxazol-2-ylsulfanyl)-2-phenylpropanenitrile.
What is the SMILES notation for 2-(cyclopropylamino)-3-(1,3-oxazol-2-ylsulfanyl)-2-phenylpropanenitrile?
The canonical SMILES for 2-(cyclopropylamino)-3-(1,3-oxazol-2-ylsulfanyl)-2-phenylpropanenitrile is N#CC(CSc1ncco1)(NC1CC1)c1ccccc1.
What is the InChIKey of 2-(cyclopropylamino)-3-(1,3-oxazol-2-ylsulfanyl)-2-phenylpropanenitrile?
The InChIKey is SXGSJGXVUNCQCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS/c16-10-15(18-13-6-7-13,12-4-2-1-3-5-12)11-20-14-17-8-9-19-14/h1-5,8-9,13,18H,6-7,11H2.
What are the key properties of 2-(cyclopropylamino)-3-(1,3-oxazol-2-ylsulfanyl)-2-phenylpropanenitrile?
2-(cyclopropylamino)-3-(1,3-oxazol-2-ylsulfanyl)-2-phenylpropanenitrile has a molecular weight of 285.37 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-3-(1,3-oxazol-2-ylsulfanyl)-2-phenylpropanenitrile is sourced from PubChem (CID 106924673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).