N-[5-(2-methoxyethyl)-1,3,4-oxadiazol-2-yl]-3-phenylprop-2-enamide

C14H15N3O3 — CID 71961221

IUPACN-[5-(2-methoxyethyl)-1,3,4-oxadiazol-2-yl]-3-phenylprop-2-enamide
SMILESCOCCc1nnc(NC(=O)C=Cc2ccccc2)o1
InChIInChI=1S/C14H15N3O3/c1-19-10-9-13-16-17-14(20-13)15-12(18)8-7-11-5-3-2-4-6-11/h2-8H,9-10H2,1H3,(H,15,17,18)
InChIKeyYXCZHPBQMIWVOF-UHFFFAOYSA-N
MW273.29 g/mol
LogP1.91
Rot. Bonds6

About N-[5-(2-methoxyethyl)-1,3,4-oxadiazol-2-yl]-3-phenylprop-2-enamide

N-[5-(2-methoxyethyl)-1,3,4-oxadiazol-2-yl]-3-phenylprop-2-enamide (PubChem CID 71961221) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is N-[5-(2-methoxyethyl)-1,3,4-oxadiazol-2-yl]-3-phenylprop-2-enamide.

Molecular Properties

Compound NameN-[5-(2-methoxyethyl)-1,3,4-oxadiazol-2-yl]-3-phenylprop-2-enamide
PubChem CID71961221
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC NameN-[5-(2-methoxyethyl)-1,3,4-oxadiazol-2-yl]-3-phenylprop-2-enamide
SMILESCOCCc1nnc(NC(=O)C=Cc2ccccc2)o1
InChIInChI=1S/C14H15N3O3/c1-19-10-9-13-16-17-14(20-13)15-12(18)8-7-11-5-3-2-4-6-11/h2-8H,9-10H2,1H3,(H,15,17,18)
InChIKeyYXCZHPBQMIWVOF-UHFFFAOYSA-N
XLogP1.91
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-(benzylthio)-N-(5-(2-methoxyethyl)-1,3,4-oxadiazol-2-yl)acetamide
CID 71781010
N-[5-(2-methoxyethyl)-1,3,4-oxadiazol-2-yl]-4-phenylbutanamide
CID 71781011
N-allyl-5-[2-[(E)-1-phenylethylideneamino]oxyethyl]-1,3,4-oxadiazol-2-amine
CID 15953924
3,4-difluoro-N-[5-(2-methoxyethyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 71781006
N-(5-(2-methoxyethyl)-1,3,4-oxadiazol-2-yl)cinnamamide
CID 71781007
1-methyl-N-(5-methyl-1,3,4-oxadiazol-2-yl)-4H-naphthalen-4-ide-2-carboxamide;tungsten
CID 149381411

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-methoxyethyl)-1,3,4-oxadiazol-2-yl]-3-phenylprop-2-enamide?
The IUPAC name of N-[5-(2-methoxyethyl)-1,3,4-oxadiazol-2-yl]-3-phenylprop-2-enamide (CID 71961221) is N-[5-(2-methoxyethyl)-1,3,4-oxadiazol-2-yl]-3-phenylprop-2-enamide.
What is the SMILES notation for N-[5-(2-methoxyethyl)-1,3,4-oxadiazol-2-yl]-3-phenylprop-2-enamide?
The canonical SMILES for N-[5-(2-methoxyethyl)-1,3,4-oxadiazol-2-yl]-3-phenylprop-2-enamide is COCCc1nnc(NC(=O)C=Cc2ccccc2)o1.
What is the InChIKey of N-[5-(2-methoxyethyl)-1,3,4-oxadiazol-2-yl]-3-phenylprop-2-enamide?
The InChIKey is YXCZHPBQMIWVOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-19-10-9-13-16-17-14(20-13)15-12(18)8-7-11-5-3-2-4-6-11/h2-8H,9-10H2,1H3,(H,15,17,18).
What are the key properties of N-[5-(2-methoxyethyl)-1,3,4-oxadiazol-2-yl]-3-phenylprop-2-enamide?
N-[5-(2-methoxyethyl)-1,3,4-oxadiazol-2-yl]-3-phenylprop-2-enamide has a molecular weight of 273.29 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-methoxyethyl)-1,3,4-oxadiazol-2-yl]-3-phenylprop-2-enamide is sourced from PubChem (CID 71961221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).