3-[(1S)-1-[(5-phenyl-1,2-oxazol-3-yl)methylamino]ethyl]benzonitrile

C19H17N3O — CID 124615715

IUPAC3-[(1S)-1-[(5-phenyl-1,2-oxazol-3-yl)methylamino]ethyl]benzonitrile
SMILESC[C@H](NCc1cc(-c2ccccc2)on1)c1cccc(C#N)c1
InChIInChI=1S/C19H17N3O/c1-14(17-9-5-6-15(10-17)12-20)21-13-18-11-19(23-22-18)16-7-3-2-4-8-16/h2-11,14,21H,13H2,1H3/t14-/m0/s1
InChIKeyZJICPYDNKZJKLC-AWEZNQCLSA-N
MW303.37 g/mol
LogP4.06
Rot. Bonds5

About 3-[(1S)-1-[(5-phenyl-1,2-oxazol-3-yl)methylamino]ethyl]benzonitrile

3-[(1S)-1-[(5-phenyl-1,2-oxazol-3-yl)methylamino]ethyl]benzonitrile (PubChem CID 124615715) has the molecular formula C19H17N3O and a molecular weight of 303.37 g/mol. Its IUPAC name is 3-[(1S)-1-[(5-phenyl-1,2-oxazol-3-yl)methylamino]ethyl]benzonitrile.

Molecular Properties

Compound Name3-[(1S)-1-[(5-phenyl-1,2-oxazol-3-yl)methylamino]ethyl]benzonitrile
PubChem CID124615715
Molecular FormulaC19H17N3O
Molecular Weight303.37 g/mol
Exact Mass303.14
IUPAC Name3-[(1S)-1-[(5-phenyl-1,2-oxazol-3-yl)methylamino]ethyl]benzonitrile
SMILESC[C@H](NCc1cc(-c2ccccc2)on1)c1cccc(C#N)c1
InChIInChI=1S/C19H17N3O/c1-14(17-9-5-6-15(10-17)12-20)21-13-18-11-19(23-22-18)16-7-3-2-4-8-16/h2-11,14,21H,13H2,1H3/t14-/m0/s1
InChIKeyZJICPYDNKZJKLC-AWEZNQCLSA-N
XLogP4.06
TPSA61.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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3-[1-[(4-methyl-1,3-thiazol-2-yl)methylamino]ethyl]benzonitrile
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3-[1-(2-methoxyethylamino)ethyl]benzonitrile
CID 43756311
2-[1-(3-cyanophenyl)ethylamino]ethylurea
CID 83110158
3-[1-[(4-ethylcyclohexyl)methylamino]ethyl]benzonitrile
CID 60973082
3-[1-[(3-methyl-2-propan-2-ylbutyl)amino]ethyl]benzonitrile
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3-[1-(2-cyclopentylethylamino)ethyl]benzonitrile
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Frequently Asked Questions

What is the IUPAC name of 3-[(1S)-1-[(5-phenyl-1,2-oxazol-3-yl)methylamino]ethyl]benzonitrile?
The IUPAC name of 3-[(1S)-1-[(5-phenyl-1,2-oxazol-3-yl)methylamino]ethyl]benzonitrile (CID 124615715) is 3-[(1S)-1-[(5-phenyl-1,2-oxazol-3-yl)methylamino]ethyl]benzonitrile.
What is the SMILES notation for 3-[(1S)-1-[(5-phenyl-1,2-oxazol-3-yl)methylamino]ethyl]benzonitrile?
The canonical SMILES for 3-[(1S)-1-[(5-phenyl-1,2-oxazol-3-yl)methylamino]ethyl]benzonitrile is C[C@H](NCc1cc(-c2ccccc2)on1)c1cccc(C#N)c1.
What is the InChIKey of 3-[(1S)-1-[(5-phenyl-1,2-oxazol-3-yl)methylamino]ethyl]benzonitrile?
The InChIKey is ZJICPYDNKZJKLC-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H17N3O/c1-14(17-9-5-6-15(10-17)12-20)21-13-18-11-19(23-22-18)16-7-3-2-4-8-16/h2-11,14,21H,13H2,1H3/t14-/m0/s1.
What are the key properties of 3-[(1S)-1-[(5-phenyl-1,2-oxazol-3-yl)methylamino]ethyl]benzonitrile?
3-[(1S)-1-[(5-phenyl-1,2-oxazol-3-yl)methylamino]ethyl]benzonitrile has a molecular weight of 303.37 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1S)-1-[(5-phenyl-1,2-oxazol-3-yl)methylamino]ethyl]benzonitrile is sourced from PubChem (CID 124615715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).