N-[2-[2-oxo-2-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethylamino]ethyl]phenyl]prop-2-enamide

C21H20N4O3 — CID 166420665

IUPACN-[2-[2-oxo-2-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethylamino]ethyl]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccccc1CC(=O)NCCc1nnc(-c2ccccc2)o1
InChIInChI=1S/C21H20N4O3/c1-2-18(26)23-17-11-7-6-10-16(17)14-19(27)22-13-12-20-24-25-21(28-20)15-8-4-3-5-9-15/h2-11H,1,12-14H2,(H,22,27)(H,23,26)
InChIKeyMJWNZMOCEZVGHE-UHFFFAOYSA-N
MW376.42 g/mol
LogP2.76
Rot. Bonds8

About N-[2-[2-oxo-2-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethylamino]ethyl]phenyl]prop-2-enamide

N-[2-[2-oxo-2-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethylamino]ethyl]phenyl]prop-2-enamide (PubChem CID 166420665) has the molecular formula C21H20N4O3 and a molecular weight of 376.42 g/mol. Its IUPAC name is N-[2-[2-oxo-2-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethylamino]ethyl]phenyl]prop-2-enamide.

Molecular Properties

Compound NameN-[2-[2-oxo-2-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethylamino]ethyl]phenyl]prop-2-enamide
PubChem CID166420665
Molecular FormulaC21H20N4O3
Molecular Weight376.42 g/mol
Exact Mass376.15
IUPAC NameN-[2-[2-oxo-2-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethylamino]ethyl]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccccc1CC(=O)NCCc1nnc(-c2ccccc2)o1
InChIInChI=1S/C21H20N4O3/c1-2-18(26)23-17-11-7-6-10-16(17)14-19(27)22-13-12-20-24-25-21(28-20)15-8-4-3-5-9-15/h2-11H,1,12-14H2,(H,22,27)(H,23,26)
InChIKeyMJWNZMOCEZVGHE-UHFFFAOYSA-N
XLogP2.76
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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CID 110320370
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N-[(2-chlorophenyl)methyl]-2-(5-phenyl-1,3,4-oxadiazol-2-yl)acetamide
CID 52906292
N-(2-tert-butylphenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 110333760
2,3-difluoro-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]benzamide
CID 146126861
N-[2-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]phenyl]prop-2-enamide
CID 167992796
N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]prop-2-en-1-amine
CID 110653635
2-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 50848268
3-phenyl-N-[2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]benzamide
CID 110320848
2-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 50848243
N-naphthalen-1-yl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-oxo-2-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethylamino]ethyl]phenyl]prop-2-enamide?
The IUPAC name of N-[2-[2-oxo-2-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethylamino]ethyl]phenyl]prop-2-enamide (CID 166420665) is N-[2-[2-oxo-2-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethylamino]ethyl]phenyl]prop-2-enamide.
What is the SMILES notation for N-[2-[2-oxo-2-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethylamino]ethyl]phenyl]prop-2-enamide?
The canonical SMILES for N-[2-[2-oxo-2-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethylamino]ethyl]phenyl]prop-2-enamide is C=CC(=O)Nc1ccccc1CC(=O)NCCc1nnc(-c2ccccc2)o1.
What is the InChIKey of N-[2-[2-oxo-2-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethylamino]ethyl]phenyl]prop-2-enamide?
The InChIKey is MJWNZMOCEZVGHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O3/c1-2-18(26)23-17-11-7-6-10-16(17)14-19(27)22-13-12-20-24-25-21(28-20)15-8-4-3-5-9-15/h2-11H,1,12-14H2,(H,22,27)(H,23,26).
What are the key properties of N-[2-[2-oxo-2-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethylamino]ethyl]phenyl]prop-2-enamide?
N-[2-[2-oxo-2-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethylamino]ethyl]phenyl]prop-2-enamide has a molecular weight of 376.42 g/mol, XLogP of 2.76, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-oxo-2-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethylamino]ethyl]phenyl]prop-2-enamide is sourced from PubChem (CID 166420665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).