N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)-4-prop-2-enoxyphenyl]pyridine-4-carboxamide

C23H18N4O3 — CID 170458823

IUPACN-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)-4-prop-2-enoxyphenyl]pyridine-4-carboxamide
SMILESC=CCOc1ccc(NC(=O)c2ccncc2)c(-c2nnc(-c3ccccc3)o2)c1
InChIInChI=1S/C23H18N4O3/c1-2-14-29-18-8-9-20(25-21(28)16-10-12-24-13-11-16)19(15-18)23-27-26-22(30-23)17-6-4-3-5-7-17/h2-13,15H,1,14H2,(H,25,28)
InChIKeyOZRWZZLQBGMSJQ-UHFFFAOYSA-N
MW398.42 g/mol
LogP4.62
Rot. Bonds7

About N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)-4-prop-2-enoxyphenyl]pyridine-4-carboxamide

N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)-4-prop-2-enoxyphenyl]pyridine-4-carboxamide (PubChem CID 170458823) has the molecular formula C23H18N4O3 and a molecular weight of 398.42 g/mol. Its IUPAC name is N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)-4-prop-2-enoxyphenyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)-4-prop-2-enoxyphenyl]pyridine-4-carboxamide
PubChem CID170458823
Molecular FormulaC23H18N4O3
Molecular Weight398.42 g/mol
Exact Mass398.14
IUPAC NameN-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)-4-prop-2-enoxyphenyl]pyridine-4-carboxamide
SMILESC=CCOc1ccc(NC(=O)c2ccncc2)c(-c2nnc(-c3ccccc3)o2)c1
InChIInChI=1S/C23H18N4O3/c1-2-14-29-18-8-9-20(25-21(28)16-10-12-24-13-11-16)19(15-18)23-27-26-22(30-23)17-6-4-3-5-7-17/h2-13,15H,1,14H2,(H,25,28)
InChIKeyOZRWZZLQBGMSJQ-UHFFFAOYSA-N
XLogP4.62
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.42
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)-4-prop-2-enoxyphenyl]benzamide
CID 170458873
4-chloro-N-[4-methoxy-2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
CID 170458785
N-[2-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]phenyl]pyridine-4-carboxamide
CID 170458737
N-[4-methoxy-2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]thiophene-2-carboxamide
CID 170458739
N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]benzamide
CID 67153787
[4-[[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]carbamoyl]phenyl] acetate
CID 1105612
4-phenyl-N-(2-prop-2-enoxyphenyl)benzamide
CID 17097892
4-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(2,3,4-trifluorophenyl)benzamide
CID 43038343
N-(2-cyanophenyl)-3-prop-2-enoxybenzamide
CID 2994048
N-[2-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-3-methoxybenzamide
CID 5297582
4-chloro-N-[2-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide
CID 2799994
4-phenylmethoxy-N-(3-prop-2-enoxyphenyl)benzamide
CID 17086755

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)-4-prop-2-enoxyphenyl]pyridine-4-carboxamide?
The IUPAC name of N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)-4-prop-2-enoxyphenyl]pyridine-4-carboxamide (CID 170458823) is N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)-4-prop-2-enoxyphenyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)-4-prop-2-enoxyphenyl]pyridine-4-carboxamide?
The canonical SMILES for N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)-4-prop-2-enoxyphenyl]pyridine-4-carboxamide is C=CCOc1ccc(NC(=O)c2ccncc2)c(-c2nnc(-c3ccccc3)o2)c1.
What is the InChIKey of N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)-4-prop-2-enoxyphenyl]pyridine-4-carboxamide?
The InChIKey is OZRWZZLQBGMSJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O3/c1-2-14-29-18-8-9-20(25-21(28)16-10-12-24-13-11-16)19(15-18)23-27-26-22(30-23)17-6-4-3-5-7-17/h2-13,15H,1,14H2,(H,25,28).
What are the key properties of N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)-4-prop-2-enoxyphenyl]pyridine-4-carboxamide?
N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)-4-prop-2-enoxyphenyl]pyridine-4-carboxamide has a molecular weight of 398.42 g/mol, XLogP of 4.62, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)-4-prop-2-enoxyphenyl]pyridine-4-carboxamide is sourced from PubChem (CID 170458823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).