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

C18H15N3O — CID 829936

IUPAC2-benzyl-5-(benzylamino)-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(Cc2ccccc2)oc1NCc1ccccc1
InChIInChI=1S/C18H15N3O/c19-12-16-18(20-13-15-9-5-2-6-10-15)22-17(21-16)11-14-7-3-1-4-8-14/h1-10,20H,11,13H2
InChIKeyVWGWEZVXDNFTGB-UHFFFAOYSA-N
MW289.34 g/mol
LogP3.75
Rot. Bonds5

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

2-benzyl-5-(benzylamino)-1,3-oxazole-4-carbonitrile (PubChem CID 829936) has the molecular formula C18H15N3O and a molecular weight of 289.34 g/mol. Its IUPAC name is 2-benzyl-5-(benzylamino)-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name2-benzyl-5-(benzylamino)-1,3-oxazole-4-carbonitrile
PubChem CID829936
Molecular FormulaC18H15N3O
Molecular Weight289.34 g/mol
Exact Mass289.12
IUPAC Name2-benzyl-5-(benzylamino)-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(Cc2ccccc2)oc1NCc1ccccc1
InChIInChI=1S/C18H15N3O/c19-12-16-18(20-13-15-9-5-2-6-10-15)22-17(21-16)11-14-7-3-1-4-8-14/h1-10,20H,11,13H2
InChIKeyVWGWEZVXDNFTGB-UHFFFAOYSA-N
XLogP3.75
TPSA61.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 53.75
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-Phenyl-5-(2-piperidin-1-ylethylamino)-1,3-oxazole-4-carbonitrile
CID 696134
2-(2-Fluorophenyl)-5-[(2-phenylethyl)amino]-1,3-oxazole-4-carbonitrile
CID 892559
2-(Naphthalen-1-yl)-5-(prop-2-en-1-ylamino)-1,3-oxazole-4-carbonitrile
CID 663890
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-(3-chlorophenyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile
CID 663537
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
2-Benzyl-5-[(pyridin-3-ylmethyl)amino]-1,3-oxazole-4-carbonitrile
CID 664401

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-5-(benzylamino)-1,3-oxazole-4-carbonitrile?
The IUPAC name of 2-benzyl-5-(benzylamino)-1,3-oxazole-4-carbonitrile (CID 829936) is 2-benzyl-5-(benzylamino)-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 2-benzyl-5-(benzylamino)-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 2-benzyl-5-(benzylamino)-1,3-oxazole-4-carbonitrile is N#Cc1nc(Cc2ccccc2)oc1NCc1ccccc1.
What is the InChIKey of 2-benzyl-5-(benzylamino)-1,3-oxazole-4-carbonitrile?
The InChIKey is VWGWEZVXDNFTGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O/c19-12-16-18(20-13-15-9-5-2-6-10-15)22-17(21-16)11-14-7-3-1-4-8-14/h1-10,20H,11,13H2.
What are the key properties of 2-benzyl-5-(benzylamino)-1,3-oxazole-4-carbonitrile?
2-benzyl-5-(benzylamino)-1,3-oxazole-4-carbonitrile has a molecular weight of 289.34 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-5-(benzylamino)-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 829936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).