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

C18H15N3O3 — CID 10358687

IUPAC(E)-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-pyridin-4-ylprop-2-enamide
SMILESCOc1cc(NC(=O)/C=C/c2ccncc2)ccc1-c1cnco1
InChIInChI=1S/C18H15N3O3/c1-23-16-10-14(3-4-15(16)17-11-20-12-24-17)21-18(22)5-2-13-6-8-19-9-7-13/h2-12H,1H3,(H,21,22)/b5-2+
InChIKeyBOWWFVQCNMWDEZ-GORDUTHDSA-N
MW321.34 g/mol
LogP3.40
Rot. Bonds5

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

(E)-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-pyridin-4-ylprop-2-enamide (PubChem CID 10358687) has the molecular formula C18H15N3O3 and a molecular weight of 321.34 g/mol. Its IUPAC name is (E)-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-pyridin-4-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-pyridin-4-ylprop-2-enamide
PubChem CID10358687
Molecular FormulaC18H15N3O3
Molecular Weight321.34 g/mol
Exact Mass321.11
IUPAC Name(E)-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-pyridin-4-ylprop-2-enamide
SMILESCOc1cc(NC(=O)/C=C/c2ccncc2)ccc1-c1cnco1
InChIInChI=1S/C18H15N3O3/c1-23-16-10-14(3-4-15(16)17-11-20-12-24-17)21-18(22)5-2-13-6-8-19-9-7-13/h2-12H,1H3,(H,21,22)/b5-2+
InChIKeyBOWWFVQCNMWDEZ-GORDUTHDSA-N
XLogP3.40
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 53.40
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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Frequently Asked Questions

What is the IUPAC name of (E)-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-pyridin-4-ylprop-2-enamide?
The IUPAC name of (E)-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-pyridin-4-ylprop-2-enamide (CID 10358687) is (E)-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-pyridin-4-ylprop-2-enamide.
What is the SMILES notation for (E)-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-pyridin-4-ylprop-2-enamide?
The canonical SMILES for (E)-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-pyridin-4-ylprop-2-enamide is COc1cc(NC(=O)/C=C/c2ccncc2)ccc1-c1cnco1.
What is the InChIKey of (E)-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-pyridin-4-ylprop-2-enamide?
The InChIKey is BOWWFVQCNMWDEZ-GORDUTHDSA-N. The full InChI is InChI=1S/C18H15N3O3/c1-23-16-10-14(3-4-15(16)17-11-20-12-24-17)21-18(22)5-2-13-6-8-19-9-7-13/h2-12H,1H3,(H,21,22)/b5-2+.
What are the key properties of (E)-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-pyridin-4-ylprop-2-enamide?
(E)-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-pyridin-4-ylprop-2-enamide has a molecular weight of 321.34 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-pyridin-4-ylprop-2-enamide is sourced from PubChem (CID 10358687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).