N-benzyl-1-(5-phenyl-1,3,4-oxadiazol-2-yl)-1-(1H-pyrrol-2-yl)methanamine

C20H18N4O — CID 90671388

IUPACN-benzyl-1-(5-phenyl-1,3,4-oxadiazol-2-yl)-1-(1H-pyrrol-2-yl)methanamine
SMILESc1ccc(CNC(c2ccc[nH]2)c2nnc(-c3ccccc3)o2)cc1
InChIInChI=1S/C20H18N4O/c1-3-8-15(9-4-1)14-22-18(17-12-7-13-21-17)20-24-23-19(25-20)16-10-5-2-6-11-16/h1-13,18,21-22H,14H2
InChIKeySGIZAOVFJBYLBZ-UHFFFAOYSA-N
MW330.39 g/mol
LogP3.94
Rot. Bonds6

About N-benzyl-1-(5-phenyl-1,3,4-oxadiazol-2-yl)-1-(1H-pyrrol-2-yl)methanamine

N-benzyl-1-(5-phenyl-1,3,4-oxadiazol-2-yl)-1-(1H-pyrrol-2-yl)methanamine (PubChem CID 90671388) has the molecular formula C20H18N4O and a molecular weight of 330.39 g/mol. Its IUPAC name is N-benzyl-1-(5-phenyl-1,3,4-oxadiazol-2-yl)-1-(1H-pyrrol-2-yl)methanamine.

Molecular Properties

Compound NameN-benzyl-1-(5-phenyl-1,3,4-oxadiazol-2-yl)-1-(1H-pyrrol-2-yl)methanamine
PubChem CID90671388
Molecular FormulaC20H18N4O
Molecular Weight330.39 g/mol
Exact Mass330.15
IUPAC NameN-benzyl-1-(5-phenyl-1,3,4-oxadiazol-2-yl)-1-(1H-pyrrol-2-yl)methanamine
SMILESc1ccc(CNC(c2ccc[nH]2)c2nnc(-c3ccccc3)o2)cc1
InChIInChI=1S/C20H18N4O/c1-3-8-15(9-4-1)14-22-18(17-12-7-13-21-17)20-24-23-19(25-20)16-10-5-2-6-11-16/h1-13,18,21-22H,14H2
InChIKeySGIZAOVFJBYLBZ-UHFFFAOYSA-N
XLogP3.94
TPSA66.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(5-phenyl-1,3,4-oxadiazol-2-yl)-1-(1H-pyrrol-2-yl)methanamine?
The IUPAC name of N-benzyl-1-(5-phenyl-1,3,4-oxadiazol-2-yl)-1-(1H-pyrrol-2-yl)methanamine (CID 90671388) is N-benzyl-1-(5-phenyl-1,3,4-oxadiazol-2-yl)-1-(1H-pyrrol-2-yl)methanamine.
What is the SMILES notation for N-benzyl-1-(5-phenyl-1,3,4-oxadiazol-2-yl)-1-(1H-pyrrol-2-yl)methanamine?
The canonical SMILES for N-benzyl-1-(5-phenyl-1,3,4-oxadiazol-2-yl)-1-(1H-pyrrol-2-yl)methanamine is c1ccc(CNC(c2ccc[nH]2)c2nnc(-c3ccccc3)o2)cc1.
What is the InChIKey of N-benzyl-1-(5-phenyl-1,3,4-oxadiazol-2-yl)-1-(1H-pyrrol-2-yl)methanamine?
The InChIKey is SGIZAOVFJBYLBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O/c1-3-8-15(9-4-1)14-22-18(17-12-7-13-21-17)20-24-23-19(25-20)16-10-5-2-6-11-16/h1-13,18,21-22H,14H2.
What are the key properties of N-benzyl-1-(5-phenyl-1,3,4-oxadiazol-2-yl)-1-(1H-pyrrol-2-yl)methanamine?
N-benzyl-1-(5-phenyl-1,3,4-oxadiazol-2-yl)-1-(1H-pyrrol-2-yl)methanamine has a molecular weight of 330.39 g/mol, XLogP of 3.94, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(5-phenyl-1,3,4-oxadiazol-2-yl)-1-(1H-pyrrol-2-yl)methanamine is sourced from PubChem (CID 90671388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).