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

C16H21N3O2 — CID 110393441

IUPACN-pentyl-5-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxamide
SMILESCCCCCNC(=O)c1nnc(CCc2ccccc2)o1
InChIInChI=1S/C16H21N3O2/c1-2-3-7-12-17-15(20)16-19-18-14(21-16)11-10-13-8-5-4-6-9-13/h4-6,8-9H,2-3,7,10-12H2,1H3,(H,17,20)
InChIKeyFOJCJZJEEXCUJH-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.77
Rot. Bonds8

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

N-pentyl-5-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxamide (PubChem CID 110393441) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-pentyl-5-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound NameN-pentyl-5-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxamide
PubChem CID110393441
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN-pentyl-5-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxamide
SMILESCCCCCNC(=O)c1nnc(CCc2ccccc2)o1
InChIInChI=1S/C16H21N3O2/c1-2-3-7-12-17-15(20)16-19-18-14(21-16)11-10-13-8-5-4-6-9-13/h4-6,8-9H,2-3,7,10-12H2,1H3,(H,17,20)
InChIKeyFOJCJZJEEXCUJH-UHFFFAOYSA-N
XLogP2.77
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(dimethylamino)propyl]-5-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxamide
CID 110393382
N-(2-methoxyethyl)-5-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxamide
CID 110393376
5-benzyl-N-butyl-1,3,4-oxadiazole-2-carboxamide
CID 110393174
5-benzyl-N-propyl-1,3,4-oxadiazole-2-carboxamide
CID 110393170
5-(2-phenylethyl)-N-prop-2-enyl-1,3,4-oxadiazole-2-carboxamide
CID 110393366
ethyl 5-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxylate
CID 16767504
5-(2-chlorophenyl)-N-pentyl-1,3,4-oxadiazole-2-carboxamide
CID 110391277
N-(2-chlorophenyl)-5-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxamide
CID 110393467
N-(4-fluorophenyl)-5-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxamide
CID 110393466
N-methyl-N-(3-phenylpropyl)-5-propyl-1,3,4-oxadiazole-2-carboxamide
CID 56873346
N-(2-phenylethyl)-5-[(3,4,5-trimethoxyphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide
CID 22431653
5-(2-fluorophenyl)-N-(3-phenylpropyl)-1,3,4-oxadiazole-2-carboxamide
CID 110392294

Frequently Asked Questions

What is the IUPAC name of N-pentyl-5-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of N-pentyl-5-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxamide (CID 110393441) is N-pentyl-5-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for N-pentyl-5-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for N-pentyl-5-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxamide is CCCCCNC(=O)c1nnc(CCc2ccccc2)o1.
What is the InChIKey of N-pentyl-5-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is FOJCJZJEEXCUJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-2-3-7-12-17-15(20)16-19-18-14(21-16)11-10-13-8-5-4-6-9-13/h4-6,8-9H,2-3,7,10-12H2,1H3,(H,17,20).
What are the key properties of N-pentyl-5-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxamide?
N-pentyl-5-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 287.36 g/mol, XLogP of 2.77, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentyl-5-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 110393441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).