(E)-3-(3-nitrophenyl)-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)phenyl]prop-2-enamide

C22H15N5O4 — CID 30332371

IUPAC(E)-3-(3-nitrophenyl)-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)phenyl]prop-2-enamide
SMILESO=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccccc1-c1nc(-c2ccccn2)no1
InChIInChI=1S/C22H15N5O4/c28-20(12-11-15-6-5-7-16(14-15)27(29)30)24-18-9-2-1-8-17(18)22-25-21(26-31-22)19-10-3-4-13-23-19/h1-14H,(H,24,28)/b12-11+
InChIKeyCPCHNELLVBCFBW-VAWYXSNFSA-N
MW413.39 g/mol
LogP4.36
Rot. Bonds6

About (E)-3-(3-nitrophenyl)-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)phenyl]prop-2-enamide

(E)-3-(3-nitrophenyl)-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)phenyl]prop-2-enamide (PubChem CID 30332371) has the molecular formula C22H15N5O4 and a molecular weight of 413.39 g/mol. Its IUPAC name is (E)-3-(3-nitrophenyl)-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3-nitrophenyl)-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)phenyl]prop-2-enamide
PubChem CID30332371
Molecular FormulaC22H15N5O4
Molecular Weight413.39 g/mol
Exact Mass413.11
IUPAC Name(E)-3-(3-nitrophenyl)-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)phenyl]prop-2-enamide
SMILESO=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccccc1-c1nc(-c2ccccn2)no1
InChIInChI=1S/C22H15N5O4/c28-20(12-11-15-6-5-7-16(14-15)27(29)30)24-18-9-2-1-8-17(18)22-25-21(26-31-22)19-10-3-4-13-23-19/h1-14H,(H,24,28)/b12-11+
InChIKeyCPCHNELLVBCFBW-VAWYXSNFSA-N
XLogP4.36
TPSA124.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.39
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(3-nitrophenyl)-N-[2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)phenyl]prop-2-enamide
CID 30332397
2-chloro-5-nitro-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)phenyl]benzamide
CID 30330382
(E)-3-(3-nitrophenyl)-N-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)prop-2-enamide
CID 6072933
3-methyl-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)phenyl]benzamide
CID 30329065
3-(3-nitrophenyl)-N-[6-[3-(3-nitrophenyl)prop-2-enoylamino]-2-pyridinyl]prop-2-enamide
CID 4992923
(E)-N-(2-methylsulfanylphenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 6213183
(E)-N-[2-methyl-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-3-(3-nitrophenyl)prop-2-enamide
CID 1363089
4-phenyl-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)phenyl]benzamide
CID 30329289
(E)-N-(3-methyl-1,2-oxazol-5-yl)-3-(3-nitrophenyl)prop-2-enamide
CID 45284592
3-(3-nitrophenyl)-N-(pyridin-2-ylcarbamothioyl)prop-2-enamide
CID 885233
N-(2-benzylphenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 4812357
N-(2-fluoro-5-nitrophenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 4632907

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-nitrophenyl)-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)phenyl]prop-2-enamide?
The IUPAC name of (E)-3-(3-nitrophenyl)-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)phenyl]prop-2-enamide (CID 30332371) is (E)-3-(3-nitrophenyl)-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(3-nitrophenyl)-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)phenyl]prop-2-enamide?
The canonical SMILES for (E)-3-(3-nitrophenyl)-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)phenyl]prop-2-enamide is O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccccc1-c1nc(-c2ccccn2)no1.
What is the InChIKey of (E)-3-(3-nitrophenyl)-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)phenyl]prop-2-enamide?
The InChIKey is CPCHNELLVBCFBW-VAWYXSNFSA-N. The full InChI is InChI=1S/C22H15N5O4/c28-20(12-11-15-6-5-7-16(14-15)27(29)30)24-18-9-2-1-8-17(18)22-25-21(26-31-22)19-10-3-4-13-23-19/h1-14H,(H,24,28)/b12-11+.
What are the key properties of (E)-3-(3-nitrophenyl)-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)phenyl]prop-2-enamide?
(E)-3-(3-nitrophenyl)-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)phenyl]prop-2-enamide has a molecular weight of 413.39 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-nitrophenyl)-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)phenyl]prop-2-enamide is sourced from PubChem (CID 30332371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).