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

C21H15N3O3 — CID 1364622

IUPACN-[4-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-3-phenylprop-2-enamide
SMILESO=C(C=Cc1ccccc1)Nc1ccc(-c2nnc(-c3ccco3)o2)cc1
InChIInChI=1S/C21H15N3O3/c25-19(13-8-15-5-2-1-3-6-15)22-17-11-9-16(10-12-17)20-23-24-21(27-20)18-7-4-14-26-18/h1-14H,(H,22,25)
InChIKeyRJAPKCMSZNWXMR-UHFFFAOYSA-N
MW357.37 g/mol
LogP4.65
Rot. Bonds5

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

N-[4-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-3-phenylprop-2-enamide (PubChem CID 1364622) has the molecular formula C21H15N3O3 and a molecular weight of 357.37 g/mol. Its IUPAC name is N-[4-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-3-phenylprop-2-enamide.

Molecular Properties

Compound NameN-[4-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-3-phenylprop-2-enamide
PubChem CID1364622
Molecular FormulaC21H15N3O3
Molecular Weight357.37 g/mol
Exact Mass357.11
IUPAC NameN-[4-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-3-phenylprop-2-enamide
SMILESO=C(C=Cc1ccccc1)Nc1ccc(-c2nnc(-c3ccco3)o2)cc1
InChIInChI=1S/C21H15N3O3/c25-19(13-8-15-5-2-1-3-6-15)22-17-11-9-16(10-12-17)20-23-24-21(27-20)18-7-4-14-26-18/h1-14H,(H,22,25)
InChIKeyRJAPKCMSZNWXMR-UHFFFAOYSA-N
XLogP4.65
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 54.65
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

2,2,2-trifluoro-N-[4-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]acetamide
CID 766025
N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-3-(3-nitrophenyl)prop-2-enamide
CID 3604057
(E)-N-[4-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-phenylprop-2-enamide
CID 28677648
(E)-N-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-3-phenylprop-2-enamide
CID 102460927
(E)-N-[5-(4-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-3-phenylprop-2-enamide
CID 7578317
3-bromo-N-[4-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide
CID 2231472
(E)-N,3-diphenylprop-2-enamide;ethane
CID 123527291
(Z)-N-[4-[2,6-bis[4-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]pyrimidin-4-yl]phenyl]-3-phenylprop-2-enamide
CID 99690618
N-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-3-phenylprop-2-enamide
CID 78756281
2-(4-bromophenoxy)-N-[4-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]acetamide
CID 1300223
3-(furan-2-yl)-N-phenylprop-2-enamide
CID 578025
3-(3-nitrophenyl)-N-(5-phenyl-1,3,4-oxadiazol-2-yl)prop-2-enamide
CID 4569571

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-3-phenylprop-2-enamide?
The IUPAC name of N-[4-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-3-phenylprop-2-enamide (CID 1364622) is N-[4-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-3-phenylprop-2-enamide.
What is the SMILES notation for N-[4-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-3-phenylprop-2-enamide?
The canonical SMILES for N-[4-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-3-phenylprop-2-enamide is O=C(C=Cc1ccccc1)Nc1ccc(-c2nnc(-c3ccco3)o2)cc1.
What is the InChIKey of N-[4-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-3-phenylprop-2-enamide?
The InChIKey is RJAPKCMSZNWXMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N3O3/c25-19(13-8-15-5-2-1-3-6-15)22-17-11-9-16(10-12-17)20-23-24-21(27-20)18-7-4-14-26-18/h1-14H,(H,22,25).
What are the key properties of N-[4-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-3-phenylprop-2-enamide?
N-[4-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-3-phenylprop-2-enamide has a molecular weight of 357.37 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-3-phenylprop-2-enamide is sourced from PubChem (CID 1364622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).