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

C14H17N3O3 — CID 110393376

IUPACN-(2-methoxyethyl)-5-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxamide
SMILESCOCCNC(=O)c1nnc(CCc2ccccc2)o1
InChIInChI=1S/C14H17N3O3/c1-19-10-9-15-13(18)14-17-16-12(20-14)8-7-11-5-3-2-4-6-11/h2-6H,7-10H2,1H3,(H,15,18)
InChIKeyLKNJLVWHRMZDCC-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.23
Rot. Bonds7

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

N-(2-methoxyethyl)-5-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxamide (PubChem CID 110393376) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is N-(2-methoxyethyl)-5-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-5-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxamide
PubChem CID110393376
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC NameN-(2-methoxyethyl)-5-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxamide
SMILESCOCCNC(=O)c1nnc(CCc2ccccc2)o1
InChIInChI=1S/C14H17N3O3/c1-19-10-9-15-13(18)14-17-16-12(20-14)8-7-11-5-3-2-4-6-11/h2-6H,7-10H2,1H3,(H,15,18)
InChIKeyLKNJLVWHRMZDCC-UHFFFAOYSA-N
XLogP1.23
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-pentyl-5-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxamide
CID 110393441
N-[3-(dimethylamino)propyl]-5-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxamide
CID 110393382
5-(2-phenylethyl)-N-prop-2-enyl-1,3,4-oxadiazole-2-carboxamide
CID 110393366
5-[(2-chlorophenyl)methyl]-N-(2-methoxyethyl)-1,3,4-oxadiazole-2-carboxamide
CID 22431933
5-benzyl-N-propyl-1,3,4-oxadiazole-2-carboxamide
CID 110393170
ethyl 5-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxylate
CID 16767504
N-(2-phenylethyl)-5-[(3,4,5-trimethoxyphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide
CID 22431653
5-benzyl-N-butyl-1,3,4-oxadiazole-2-carboxamide
CID 110393174
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-(4-chloro-2,5-dimethoxyphenyl)-5-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxamide
CID 110393516
5-(1,3-benzodioxol-5-ylmethyl)-N-(2-methoxyethyl)-1,3,4-oxadiazole-2-carboxamide
CID 22431900

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-5-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-5-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxamide (CID 110393376) is N-(2-methoxyethyl)-5-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-5-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-5-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxamide is COCCNC(=O)c1nnc(CCc2ccccc2)o1.
What is the InChIKey of N-(2-methoxyethyl)-5-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is LKNJLVWHRMZDCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-19-10-9-15-13(18)14-17-16-12(20-14)8-7-11-5-3-2-4-6-11/h2-6H,7-10H2,1H3,(H,15,18).
What are the key properties of N-(2-methoxyethyl)-5-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxamide?
N-(2-methoxyethyl)-5-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 275.31 g/mol, XLogP of 1.23, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-5-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 110393376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).