5-(2-phenylethyl)-N-prop-2-enyl-1,3,4-oxadiazole-2-carboxamide

C14H15N3O2 — CID 110393366

IUPAC5-(2-phenylethyl)-N-prop-2-enyl-1,3,4-oxadiazole-2-carboxamide
SMILESC=CCNC(=O)c1nnc(CCc2ccccc2)o1
InChIInChI=1S/C14H15N3O2/c1-2-10-15-13(18)14-17-16-12(19-14)9-8-11-6-4-3-5-7-11/h2-7H,1,8-10H2,(H,15,18)
InChIKeyFIZSTKLDDZSDBF-UHFFFAOYSA-N
MW257.29 g/mol
LogP1.77
Rot. Bonds6

About 5-(2-phenylethyl)-N-prop-2-enyl-1,3,4-oxadiazole-2-carboxamide

5-(2-phenylethyl)-N-prop-2-enyl-1,3,4-oxadiazole-2-carboxamide (PubChem CID 110393366) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 5-(2-phenylethyl)-N-prop-2-enyl-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound Name5-(2-phenylethyl)-N-prop-2-enyl-1,3,4-oxadiazole-2-carboxamide
PubChem CID110393366
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name5-(2-phenylethyl)-N-prop-2-enyl-1,3,4-oxadiazole-2-carboxamide
SMILESC=CCNC(=O)c1nnc(CCc2ccccc2)o1
InChIInChI=1S/C14H15N3O2/c1-2-10-15-13(18)14-17-16-12(19-14)9-8-11-6-4-3-5-7-11/h2-7H,1,8-10H2,(H,15,18)
InChIKeyFIZSTKLDDZSDBF-UHFFFAOYSA-N
XLogP1.77
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)-5-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxamide
CID 110393376
N-[3-(dimethylamino)propyl]-5-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxamide
CID 110393382
N-pentyl-5-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxamide
CID 110393441
N-(4-fluorophenyl)-5-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxamide
CID 110393466
N-(2-chlorophenyl)-5-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxamide
CID 110393467
2-(2-phenylethyl)-N-prop-2-enylbenzamide
CID 2228922
N-(2-cyanophenyl)-5-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxamide
CID 110393519
ethyl 5-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxylate
CID 16767504
5-benzyl-N-propyl-1,3,4-oxadiazole-2-carboxamide
CID 110393170
N-[2-oxo-2-(prop-2-enylamino)ethyl]-2-phenylacetamide
CID 9442349
N-(2-phenylethyl)-N'-prop-2-enyloxamide
CID 2058117
N-(4-chloro-2,5-dimethoxyphenyl)-5-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxamide
CID 110393516

Frequently Asked Questions

What is the IUPAC name of 5-(2-phenylethyl)-N-prop-2-enyl-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of 5-(2-phenylethyl)-N-prop-2-enyl-1,3,4-oxadiazole-2-carboxamide (CID 110393366) is 5-(2-phenylethyl)-N-prop-2-enyl-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for 5-(2-phenylethyl)-N-prop-2-enyl-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for 5-(2-phenylethyl)-N-prop-2-enyl-1,3,4-oxadiazole-2-carboxamide is C=CCNC(=O)c1nnc(CCc2ccccc2)o1.
What is the InChIKey of 5-(2-phenylethyl)-N-prop-2-enyl-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is FIZSTKLDDZSDBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-2-10-15-13(18)14-17-16-12(19-14)9-8-11-6-4-3-5-7-11/h2-7H,1,8-10H2,(H,15,18).
What are the key properties of 5-(2-phenylethyl)-N-prop-2-enyl-1,3,4-oxadiazole-2-carboxamide?
5-(2-phenylethyl)-N-prop-2-enyl-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 257.29 g/mol, XLogP of 1.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-phenylethyl)-N-prop-2-enyl-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 110393366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).