2-(phenoxymethyl)-5-(2-phenylethylamino)-1,3-oxazole-4-carbonitrile

C19H17N3O2 — CID 3845513

IUPAC2-(phenoxymethyl)-5-(2-phenylethylamino)-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(COc2ccccc2)oc1NCCc1ccccc1
InChIInChI=1S/C19H17N3O2/c20-13-17-19(21-12-11-15-7-3-1-4-8-15)24-18(22-17)14-23-16-9-5-2-6-10-16/h1-10,21H,11-12,14H2
InChIKeyFHOJLMHEILZZEY-UHFFFAOYSA-N
MW319.36 g/mol
LogP3.78
Rot. Bonds7

About 2-(phenoxymethyl)-5-(2-phenylethylamino)-1,3-oxazole-4-carbonitrile

2-(phenoxymethyl)-5-(2-phenylethylamino)-1,3-oxazole-4-carbonitrile (PubChem CID 3845513) has the molecular formula C19H17N3O2 and a molecular weight of 319.36 g/mol. Its IUPAC name is 2-(phenoxymethyl)-5-(2-phenylethylamino)-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name2-(phenoxymethyl)-5-(2-phenylethylamino)-1,3-oxazole-4-carbonitrile
PubChem CID3845513
Molecular FormulaC19H17N3O2
Molecular Weight319.36 g/mol
Exact Mass319.13
IUPAC Name2-(phenoxymethyl)-5-(2-phenylethylamino)-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(COc2ccccc2)oc1NCCc1ccccc1
InChIInChI=1S/C19H17N3O2/c20-13-17-19(21-12-11-15-7-3-1-4-8-15)24-18(22-17)14-23-16-9-5-2-6-10-16/h1-10,21H,11-12,14H2
InChIKeyFHOJLMHEILZZEY-UHFFFAOYSA-N
XLogP3.78
TPSA71.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(4-methylphenyl)methylamino]-2-(phenoxymethyl)-1,3-oxazole-4-carbonitrile
CID 829684
2-(naphthalen-1-ylmethyl)-5-(2-phenylethylamino)-1,3-oxazole-4-carbonitrile
CID 18818300
5-[2-(3,4-dimethoxyphenyl)ethylamino]-2-[(2-methoxyphenoxy)methyl]-1,3-oxazole-4-carbonitrile
CID 1051413
2-[(3-chlorophenoxy)methyl]-5-[2-(3,4-dimethoxyphenyl)ethylamino]-1,3-oxazole-4-carbonitrile
CID 2014270
2-[(4-methylphenoxy)methyl]-5-(pyridin-3-ylmethylamino)-1,3-oxazole-4-carbonitrile
CID 1080223
5-(2-morpholin-4-ylethylamino)-2-[(4-phenylphenoxy)methyl]-1,3-oxazole-4-carbonitrile
CID 2021433
2-(3-methoxyphenyl)-5-(2-phenylethylamino)-1,3-oxazole-4-carbonitrile
CID 73254074
5-[2-(4-methoxyphenyl)ethylamino]-2-(2-methylpropyl)-1,3-oxazole-4-carbonitrile
CID 17012929
5-(3-morpholin-4-ylpropylamino)-2-[(4-phenylphenoxy)methyl]-1,3-oxazole-4-carbonitrile
CID 664721
2-[(3-chlorophenoxy)methyl]-5-(2-methoxyethylamino)-1,3-oxazole-4-carbonitrile
CID 18822834
2-benzyl-5-(2-hydroxyethylamino)-1,3-oxazole-4-carbonitrile
CID 163347759
5-(ethylamino)-2-[(4-fluorophenoxy)methyl]-1,3-oxazole-4-carbonitrile
CID 3152479

Frequently Asked Questions

What is the IUPAC name of 2-(phenoxymethyl)-5-(2-phenylethylamino)-1,3-oxazole-4-carbonitrile?
The IUPAC name of 2-(phenoxymethyl)-5-(2-phenylethylamino)-1,3-oxazole-4-carbonitrile (CID 3845513) is 2-(phenoxymethyl)-5-(2-phenylethylamino)-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 2-(phenoxymethyl)-5-(2-phenylethylamino)-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 2-(phenoxymethyl)-5-(2-phenylethylamino)-1,3-oxazole-4-carbonitrile is N#Cc1nc(COc2ccccc2)oc1NCCc1ccccc1.
What is the InChIKey of 2-(phenoxymethyl)-5-(2-phenylethylamino)-1,3-oxazole-4-carbonitrile?
The InChIKey is FHOJLMHEILZZEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2/c20-13-17-19(21-12-11-15-7-3-1-4-8-15)24-18(22-17)14-23-16-9-5-2-6-10-16/h1-10,21H,11-12,14H2.
What are the key properties of 2-(phenoxymethyl)-5-(2-phenylethylamino)-1,3-oxazole-4-carbonitrile?
2-(phenoxymethyl)-5-(2-phenylethylamino)-1,3-oxazole-4-carbonitrile has a molecular weight of 319.36 g/mol, XLogP of 3.78, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(phenoxymethyl)-5-(2-phenylethylamino)-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 3845513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).