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

C17H20N4O2 — CID 664081

IUPAC2-benzyl-5-(2-morpholin-4-ylethylamino)-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(Cc2ccccc2)oc1NCCN1CCOCC1
InChIInChI=1S/C17H20N4O2/c18-13-15-17(19-6-7-21-8-10-22-11-9-21)23-16(20-15)12-14-4-2-1-3-5-14/h1-5,19H,6-12H2
InChIKeyRPBMIMMKQVSIBJ-UHFFFAOYSA-N
MW312.37 g/mol
LogP1.88
Rot. Bonds6

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

2-benzyl-5-(2-morpholin-4-ylethylamino)-1,3-oxazole-4-carbonitrile (PubChem CID 664081) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 2-benzyl-5-(2-morpholin-4-ylethylamino)-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name2-benzyl-5-(2-morpholin-4-ylethylamino)-1,3-oxazole-4-carbonitrile
PubChem CID664081
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name2-benzyl-5-(2-morpholin-4-ylethylamino)-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(Cc2ccccc2)oc1NCCN1CCOCC1
InChIInChI=1S/C17H20N4O2/c18-13-15-17(19-6-7-21-8-10-22-11-9-21)23-16(20-15)12-14-4-2-1-3-5-14/h1-5,19H,6-12H2
InChIKeyRPBMIMMKQVSIBJ-UHFFFAOYSA-N
XLogP1.88
TPSA74.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-5-(2-morpholin-4-ylethylamino)-1,3-oxazole-4-carbonitrile?
The IUPAC name of 2-benzyl-5-(2-morpholin-4-ylethylamino)-1,3-oxazole-4-carbonitrile (CID 664081) is 2-benzyl-5-(2-morpholin-4-ylethylamino)-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 2-benzyl-5-(2-morpholin-4-ylethylamino)-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 2-benzyl-5-(2-morpholin-4-ylethylamino)-1,3-oxazole-4-carbonitrile is N#Cc1nc(Cc2ccccc2)oc1NCCN1CCOCC1.
What is the InChIKey of 2-benzyl-5-(2-morpholin-4-ylethylamino)-1,3-oxazole-4-carbonitrile?
The InChIKey is RPBMIMMKQVSIBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c18-13-15-17(19-6-7-21-8-10-22-11-9-21)23-16(20-15)12-14-4-2-1-3-5-14/h1-5,19H,6-12H2.
What are the key properties of 2-benzyl-5-(2-morpholin-4-ylethylamino)-1,3-oxazole-4-carbonitrile?
2-benzyl-5-(2-morpholin-4-ylethylamino)-1,3-oxazole-4-carbonitrile has a molecular weight of 312.37 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-5-(2-morpholin-4-ylethylamino)-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 664081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).