4-phenyl-1,2,4-oxadiazolidin-2-amine

C8H11N3O — CID 18788470

IUPAC4-phenyl-1,2,4-oxadiazolidin-2-amine
SMILESNN1CN(c2ccccc2)CO1
InChIInChI=1S/C8H11N3O/c9-11-6-10(7-12-11)8-4-2-1-3-5-8/h1-5H,6-7,9H2
InChIKeyXTBJSNPQJNERPB-UHFFFAOYSA-N
MW165.20 g/mol
LogP0.53
Rot. Bonds1

About 4-phenyl-1,2,4-oxadiazolidin-2-amine

4-phenyl-1,2,4-oxadiazolidin-2-amine (PubChem CID 18788470) has the molecular formula C8H11N3O and a molecular weight of 165.20 g/mol. Its IUPAC name is 4-phenyl-1,2,4-oxadiazolidin-2-amine.

Molecular Properties

Compound Name4-phenyl-1,2,4-oxadiazolidin-2-amine
PubChem CID18788470
Molecular FormulaC8H11N3O
Molecular Weight165.20 g/mol
Exact Mass165.09
IUPAC Name4-phenyl-1,2,4-oxadiazolidin-2-amine
SMILESNN1CN(c2ccccc2)CO1
InChIInChI=1S/C8H11N3O/c9-11-6-10(7-12-11)8-4-2-1-3-5-8/h1-5H,6-7,9H2
InChIKeyXTBJSNPQJNERPB-UHFFFAOYSA-N
XLogP0.53
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}

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Related Compounds

5-phenyl-1,3,5-dioxazinane
CID 57157399
3-phenyl-1,3-oxazolidine
CID 519787
2,3-diphenyloxadiaziridine
CID 67418852
4-phenyl-1,2,4-dithiazolidine
CID 101427405
2-phenyl-1,4,7,10,13,16-hexaoxa-2-azacyclooctadecane
CID 88924597
5,7-dimethyl-3-phenyl-2,4-dihydro-1,3-benzoxazine
CID 86046984
3-phenyl-6-oxa-3-azabicyclo[3.1.1]heptane
CID 84766951
1-fluoro-4-phenylpiperazine
CID 23450926
1-phenyl-4-(1-phenylpiperidin-4-ylidene)piperidine
CID 15946547
2,6-diphenyl-1,3,6,2-dioxazaborocane
CID 123134321
3-phenyl-1,3-oxazinan-6-one
CID 22323516
6-methyl-3-phenyl-2,4-dihydro-1,3-oxazine
CID 142853569

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-1,2,4-oxadiazolidin-2-amine?
The IUPAC name of 4-phenyl-1,2,4-oxadiazolidin-2-amine (CID 18788470) is 4-phenyl-1,2,4-oxadiazolidin-2-amine.
What is the SMILES notation for 4-phenyl-1,2,4-oxadiazolidin-2-amine?
The canonical SMILES for 4-phenyl-1,2,4-oxadiazolidin-2-amine is NN1CN(c2ccccc2)CO1.
What is the InChIKey of 4-phenyl-1,2,4-oxadiazolidin-2-amine?
The InChIKey is XTBJSNPQJNERPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O/c9-11-6-10(7-12-11)8-4-2-1-3-5-8/h1-5H,6-7,9H2.
What are the key properties of 4-phenyl-1,2,4-oxadiazolidin-2-amine?
4-phenyl-1,2,4-oxadiazolidin-2-amine has a molecular weight of 165.20 g/mol, XLogP of 0.53, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-1,2,4-oxadiazolidin-2-amine is sourced from PubChem (CID 18788470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).