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

C19H17N3O — CID 1242497

IUPAC2-benzyl-5-(2-phenylethylamino)-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(Cc2ccccc2)oc1NCCc1ccccc1
InChIInChI=1S/C19H17N3O/c20-14-17-19(21-12-11-15-7-3-1-4-8-15)23-18(22-17)13-16-9-5-2-6-10-16/h1-10,21H,11-13H2
InChIKeyQLVJXNSQJGEBCI-UHFFFAOYSA-N
MW303.37 g/mol
LogP3.79
Rot. Bonds6

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

2-benzyl-5-(2-phenylethylamino)-1,3-oxazole-4-carbonitrile (PubChem CID 1242497) has the molecular formula C19H17N3O and a molecular weight of 303.37 g/mol. Its IUPAC name is 2-benzyl-5-(2-phenylethylamino)-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name2-benzyl-5-(2-phenylethylamino)-1,3-oxazole-4-carbonitrile
PubChem CID1242497
Molecular FormulaC19H17N3O
Molecular Weight303.37 g/mol
Exact Mass303.14
IUPAC Name2-benzyl-5-(2-phenylethylamino)-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(Cc2ccccc2)oc1NCCc1ccccc1
InChIInChI=1S/C19H17N3O/c20-14-17-19(21-12-11-15-7-3-1-4-8-15)23-18(22-17)13-16-9-5-2-6-10-16/h1-10,21H,11-13H2
InChIKeyQLVJXNSQJGEBCI-UHFFFAOYSA-N
XLogP3.79
TPSA61.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-Methoxyethylamino)-2-(naphthalen-1-ylmethyl)-1,3-oxazole-4-carbonitrile
CID 5032828
2-(2-Fluorophenyl)-5-[(2-phenylethyl)amino]-1,3-oxazole-4-carbonitrile
CID 892559
1-[4-Cyano-2-(naphthalen-1-ylmethyl)-1,3-oxazol-5-yl]piperidine-4-carboxamide
CID 664658
5-Amino-2-benzyl-1,3-oxazole-4-carbonitrile
CID 389296
5-(Cyclohexylamino)-2-(3-methylphenyl)-1,3-oxazole-4-carbonitrile
CID 661186
2-Benzyl-5-(4-phenylpiperazin-1-yl)-1,3-oxazole-4-carbonitrile
CID 663972
5-{[3-(Morpholin-4-yl)propyl]amino}-2-(naphthalen-1-ylmethyl)-1,3-oxazole-4-carbonitrile
CID 663974
5-(Isopropylamino)-2-(1-naphthylmethyl)-1,3-oxazole-4-carbonitrile
CID 664309
2-(Naphthalen-1-ylmethyl)-5-(piperidin-1-yl)-1,3-oxazole-4-carbonitrile
CID 664387
5-(4-Methylpiperidin-1-yl)-2-(naphthalen-1-ylmethyl)-1,3-oxazole-4-carbonitrile
CID 664454
5-(Methylamino)-2-(naphthalen-1-ylmethyl)-1,3-oxazole-4-carbonitrile
CID 664883
2-Benzyl-5-pyrrolidin-1-yl-1,3-oxazole-4-carbonitrile
CID 829934

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-5-(2-phenylethylamino)-1,3-oxazole-4-carbonitrile?
The IUPAC name of 2-benzyl-5-(2-phenylethylamino)-1,3-oxazole-4-carbonitrile (CID 1242497) is 2-benzyl-5-(2-phenylethylamino)-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 2-benzyl-5-(2-phenylethylamino)-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 2-benzyl-5-(2-phenylethylamino)-1,3-oxazole-4-carbonitrile is N#Cc1nc(Cc2ccccc2)oc1NCCc1ccccc1.
What is the InChIKey of 2-benzyl-5-(2-phenylethylamino)-1,3-oxazole-4-carbonitrile?
The InChIKey is QLVJXNSQJGEBCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O/c20-14-17-19(21-12-11-15-7-3-1-4-8-15)23-18(22-17)13-16-9-5-2-6-10-16/h1-10,21H,11-13H2.
What are the key properties of 2-benzyl-5-(2-phenylethylamino)-1,3-oxazole-4-carbonitrile?
2-benzyl-5-(2-phenylethylamino)-1,3-oxazole-4-carbonitrile has a molecular weight of 303.37 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-5-(2-phenylethylamino)-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 1242497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).