N-[4-(1,3-oxazol-5-yl)phenyl]-3-pyridin-4-ylprop-2-enamide

C17H13N3O2 — CID 103598249

IUPACN-[4-(1,3-oxazol-5-yl)phenyl]-3-pyridin-4-ylprop-2-enamide
SMILESO=C(C=Cc1ccncc1)Nc1ccc(-c2cnco2)cc1
InChIInChI=1S/C17H13N3O2/c21-17(6-1-13-7-9-18-10-8-13)20-15-4-2-14(3-5-15)16-11-19-12-22-16/h1-12H,(H,20,21)
InChIKeyRHGWYFAGLMFJPK-UHFFFAOYSA-N
MW291.31 g/mol
LogP3.39
Rot. Bonds4

About N-[4-(1,3-oxazol-5-yl)phenyl]-3-pyridin-4-ylprop-2-enamide

N-[4-(1,3-oxazol-5-yl)phenyl]-3-pyridin-4-ylprop-2-enamide (PubChem CID 103598249) has the molecular formula C17H13N3O2 and a molecular weight of 291.31 g/mol. Its IUPAC name is N-[4-(1,3-oxazol-5-yl)phenyl]-3-pyridin-4-ylprop-2-enamide.

Molecular Properties

Compound NameN-[4-(1,3-oxazol-5-yl)phenyl]-3-pyridin-4-ylprop-2-enamide
PubChem CID103598249
Molecular FormulaC17H13N3O2
Molecular Weight291.31 g/mol
Exact Mass291.10
IUPAC NameN-[4-(1,3-oxazol-5-yl)phenyl]-3-pyridin-4-ylprop-2-enamide
SMILESO=C(C=Cc1ccncc1)Nc1ccc(-c2cnco2)cc1
InChIInChI=1S/C17H13N3O2/c21-17(6-1-13-7-9-18-10-8-13)20-15-4-2-14(3-5-15)16-11-19-12-22-16/h1-12H,(H,20,21)
InChIKeyRHGWYFAGLMFJPK-UHFFFAOYSA-N
XLogP3.39
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-[4-(diethylsulfamoyl)phenyl]-N-[4-(1,3-oxazol-5-yl)phenyl]prop-2-enamide
CID 78890114
(E)-3-(3,4-diethoxyphenyl)-N-[4-(1,3-oxazol-5-yl)phenyl]prop-2-enamide
CID 78890153
(E)-3-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-N-[4-(1,3-oxazol-5-yl)phenyl]prop-2-enamide
CID 70303296
(E)-N-(4-tert-butylphenyl)-3-pyridin-4-ylprop-2-enamide
CID 39399792
(E)-N-(4-propan-2-ylphenyl)-3-pyridin-4-ylprop-2-enamide
CID 34908465
N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-pyridin-3-ylprop-2-enamide
CID 67046782
2,2-dimethyl-N-[4-(1,3-oxazol-5-yl)phenyl]propanamide
CID 2806322
N-[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-N'-[4-methoxy-3-(1,3-oxazol-5-yl)phenyl]oxamide
CID 25181996
4-[4-(1,3-oxazol-5-yl)anilino]-4-oxobutanoic acid
CID 54866818
3-phenyl-N-[4-(pyridine-4-carbonyl)phenyl]prop-2-enamide
CID 3825702
1-amino-N-[4-(1,3-oxazol-5-yl)phenyl]cyclopentane-1-carboxamide
CID 58677105
N-hydroxy-3-pyridin-4-ylprop-2-enamide
CID 3623362

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-oxazol-5-yl)phenyl]-3-pyridin-4-ylprop-2-enamide?
The IUPAC name of N-[4-(1,3-oxazol-5-yl)phenyl]-3-pyridin-4-ylprop-2-enamide (CID 103598249) is N-[4-(1,3-oxazol-5-yl)phenyl]-3-pyridin-4-ylprop-2-enamide.
What is the SMILES notation for N-[4-(1,3-oxazol-5-yl)phenyl]-3-pyridin-4-ylprop-2-enamide?
The canonical SMILES for N-[4-(1,3-oxazol-5-yl)phenyl]-3-pyridin-4-ylprop-2-enamide is O=C(C=Cc1ccncc1)Nc1ccc(-c2cnco2)cc1.
What is the InChIKey of N-[4-(1,3-oxazol-5-yl)phenyl]-3-pyridin-4-ylprop-2-enamide?
The InChIKey is RHGWYFAGLMFJPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O2/c21-17(6-1-13-7-9-18-10-8-13)20-15-4-2-14(3-5-15)16-11-19-12-22-16/h1-12H,(H,20,21).
What are the key properties of N-[4-(1,3-oxazol-5-yl)phenyl]-3-pyridin-4-ylprop-2-enamide?
N-[4-(1,3-oxazol-5-yl)phenyl]-3-pyridin-4-ylprop-2-enamide has a molecular weight of 291.31 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3-oxazol-5-yl)phenyl]-3-pyridin-4-ylprop-2-enamide is sourced from PubChem (CID 103598249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).