N-(3,4-dihydro-2H-pyrrol-5-yl)-5-phenyl-1,3,4-oxadiazol-2-amine

C12H12N4O — CID 2123280

IUPACN-(3,4-dihydro-2H-pyrrol-5-yl)-5-phenyl-1,3,4-oxadiazol-2-amine
SMILESc1ccc(-c2nnc(NC3=NCCC3)o2)cc1
InChIInChI=1S/C12H12N4O/c1-2-5-9(6-3-1)11-15-16-12(17-11)14-10-7-4-8-13-10/h1-3,5-6H,4,7-8H2,(H,13,14,16)
InChIKeyWUYSOFHLTPJEGK-UHFFFAOYSA-N
MW228.26 g/mol
LogP2.34
Rot. Bonds2

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

N-(3,4-dihydro-2H-pyrrol-5-yl)-5-phenyl-1,3,4-oxadiazol-2-amine (PubChem CID 2123280) has the molecular formula C12H12N4O and a molecular weight of 228.26 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-pyrrol-5-yl)-5-phenyl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-pyrrol-5-yl)-5-phenyl-1,3,4-oxadiazol-2-amine
PubChem CID2123280
Molecular FormulaC12H12N4O
Molecular Weight228.26 g/mol
Exact Mass228.10
IUPAC NameN-(3,4-dihydro-2H-pyrrol-5-yl)-5-phenyl-1,3,4-oxadiazol-2-amine
SMILESc1ccc(-c2nnc(NC3=NCCC3)o2)cc1
InChIInChI=1S/C12H12N4O/c1-2-5-9(6-3-1)11-15-16-12(17-11)14-10-7-4-8-13-10/h1-3,5-6H,4,7-8H2,(H,13,14,16)
InChIKeyWUYSOFHLTPJEGK-UHFFFAOYSA-N
XLogP2.34
TPSA63.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.26
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1,3,4-Oxadiazole, 2-amino-5-phenyl-
CID 15363
5-(4-Methylphenyl)-1,3,4-oxadiazol-2-amine
CID 356898
N-(5-Phenyl-1,3,4-oxadiazol-2-yl)acetamide
CID 199264
2-(4-fluorophenyl)-N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 7597312
5-(4-chlorophenyl)-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-1,3,4-oxadiazol-2-amine
CID 658858
5-(4-fluorophenyl)-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-1,3,4-oxadiazol-2-amine
CID 1516852
N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
CID 4149294
2-Propenamide, 2-cyano-3-phenyl-N-(5-phenyl-1,3,4-oxadiazol-2-yl)-
CID 5469110
5-(3-Fluorophenyl)-1,3,4-oxadiazol-2-amine
CID 20113026
Sdccgsbi-0661938.P001
CID 2127579
N-(5-phenyl-1,3,4-oxadiazol-2-yl)cyclohexanecarboxamide
CID 3667318
Ethyl-(5-p-tolyl-[1,3,4]oxadiazol-2-yl)-amine
CID 648303

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-pyrrol-5-yl)-5-phenyl-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-(3,4-dihydro-2H-pyrrol-5-yl)-5-phenyl-1,3,4-oxadiazol-2-amine (CID 2123280) is N-(3,4-dihydro-2H-pyrrol-5-yl)-5-phenyl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-(3,4-dihydro-2H-pyrrol-5-yl)-5-phenyl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-(3,4-dihydro-2H-pyrrol-5-yl)-5-phenyl-1,3,4-oxadiazol-2-amine is c1ccc(-c2nnc(NC3=NCCC3)o2)cc1.
What is the InChIKey of N-(3,4-dihydro-2H-pyrrol-5-yl)-5-phenyl-1,3,4-oxadiazol-2-amine?
The InChIKey is WUYSOFHLTPJEGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O/c1-2-5-9(6-3-1)11-15-16-12(17-11)14-10-7-4-8-13-10/h1-3,5-6H,4,7-8H2,(H,13,14,16).
What are the key properties of N-(3,4-dihydro-2H-pyrrol-5-yl)-5-phenyl-1,3,4-oxadiazol-2-amine?
N-(3,4-dihydro-2H-pyrrol-5-yl)-5-phenyl-1,3,4-oxadiazol-2-amine has a molecular weight of 228.26 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-pyrrol-5-yl)-5-phenyl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 2123280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).