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

C13H13N3O2 — CID 163347759

IUPAC2-benzyl-5-(2-hydroxyethylamino)-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(Cc2ccccc2)oc1NCCO
InChIInChI=1S/C13H13N3O2/c14-9-11-13(15-6-7-17)18-12(16-11)8-10-4-2-1-3-5-10/h1-5,15,17H,6-8H2
InChIKeyKXBGMGPODISYBW-UHFFFAOYSA-N
MW243.27 g/mol
LogP1.54
Rot. Bonds5

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

2-benzyl-5-(2-hydroxyethylamino)-1,3-oxazole-4-carbonitrile (PubChem CID 163347759) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is 2-benzyl-5-(2-hydroxyethylamino)-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name2-benzyl-5-(2-hydroxyethylamino)-1,3-oxazole-4-carbonitrile
PubChem CID163347759
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC Name2-benzyl-5-(2-hydroxyethylamino)-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(Cc2ccccc2)oc1NCCO
InChIInChI=1S/C13H13N3O2/c14-9-11-13(15-6-7-17)18-12(16-11)8-10-4-2-1-3-5-10/h1-5,15,17H,6-8H2
InChIKeyKXBGMGPODISYBW-UHFFFAOYSA-N
XLogP1.54
TPSA82.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(naphthalen-1-ylmethyl)-5-(2-phenylethylamino)-1,3-oxazole-4-carbonitrile
CID 18818300
2-(phenoxymethyl)-5-(2-phenylethylamino)-1,3-oxazole-4-carbonitrile
CID 3845513
5-(2-naphthalen-1-ylethylamino)-2-(naphthalen-1-ylmethyl)-1,3-oxazole-4-carbonitrile
CID 121238612
2-benzyl-5-[[4-(3-chloro-2-methylphenoxy)phenyl]methylamino]-1,3-oxazole-4-carbonitrile
CID 163347471
5-(azepan-1-yl)-2-benzyl-1,3-oxazole-4-carbonitrile
CID 18822883
5-[(4-methylphenyl)methylamino]-2-(phenoxymethyl)-1,3-oxazole-4-carbonitrile
CID 829684
2-phenyl-5-(2-piperidin-1-ium-1-ylethylamino)-1,3-oxazole-4-carbonitrile
CID 5152099
2-[(3-benzyl-1,2,4-oxadiazol-5-yl)amino]ethanol
CID 59405308
5-[2-(3,4-dimethoxyphenyl)ethylamino]-2-[(2-methoxyphenoxy)methyl]-1,3-oxazole-4-carbonitrile
CID 1051413
5-(4-benzhydrylpiperazin-1-yl)-2-benzyl-1,3-oxazole-4-carbonitrile
CID 2006085
5-[2-(4-methoxyphenyl)ethylamino]-2-(2-methylpropyl)-1,3-oxazole-4-carbonitrile
CID 17012929
2-(4-benzylanilino)ethanol
CID 91561467

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-5-(2-hydroxyethylamino)-1,3-oxazole-4-carbonitrile?
The IUPAC name of 2-benzyl-5-(2-hydroxyethylamino)-1,3-oxazole-4-carbonitrile (CID 163347759) is 2-benzyl-5-(2-hydroxyethylamino)-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 2-benzyl-5-(2-hydroxyethylamino)-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 2-benzyl-5-(2-hydroxyethylamino)-1,3-oxazole-4-carbonitrile is N#Cc1nc(Cc2ccccc2)oc1NCCO.
What is the InChIKey of 2-benzyl-5-(2-hydroxyethylamino)-1,3-oxazole-4-carbonitrile?
The InChIKey is KXBGMGPODISYBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c14-9-11-13(15-6-7-17)18-12(16-11)8-10-4-2-1-3-5-10/h1-5,15,17H,6-8H2.
What are the key properties of 2-benzyl-5-(2-hydroxyethylamino)-1,3-oxazole-4-carbonitrile?
2-benzyl-5-(2-hydroxyethylamino)-1,3-oxazole-4-carbonitrile has a molecular weight of 243.27 g/mol, XLogP of 1.54, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-5-(2-hydroxyethylamino)-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 163347759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).