N-[2-methoxy-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-3-phenylprop-2-enamide

C22H17N3O3 — CID 71965790

IUPACN-[2-methoxy-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-3-phenylprop-2-enamide
SMILESCOc1ccc(-c2nc3ncccc3o2)cc1NC(=O)C=Cc1ccccc1
InChIInChI=1S/C22H17N3O3/c1-27-18-11-10-16(22-25-21-19(28-22)8-5-13-23-21)14-17(18)24-20(26)12-9-15-6-3-2-4-7-15/h2-14H,1H3,(H,24,26)
InChIKeyUNMPHBYKGCUZLG-UHFFFAOYSA-N
MW371.40 g/mol
LogP4.55
Rot. Bonds5

About N-[2-methoxy-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-3-phenylprop-2-enamide

N-[2-methoxy-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-3-phenylprop-2-enamide (PubChem CID 71965790) has the molecular formula C22H17N3O3 and a molecular weight of 371.40 g/mol. Its IUPAC name is N-[2-methoxy-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-3-phenylprop-2-enamide.

Molecular Properties

Compound NameN-[2-methoxy-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-3-phenylprop-2-enamide
PubChem CID71965790
Molecular FormulaC22H17N3O3
Molecular Weight371.40 g/mol
Exact Mass371.13
IUPAC NameN-[2-methoxy-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-3-phenylprop-2-enamide
SMILESCOc1ccc(-c2nc3ncccc3o2)cc1NC(=O)C=Cc1ccccc1
InChIInChI=1S/C22H17N3O3/c1-27-18-11-10-16(22-25-21-19(28-22)8-5-13-23-21)14-17(18)24-20(26)12-9-15-6-3-2-4-7-15/h2-14H,1H3,(H,24,26)
InChIKeyUNMPHBYKGCUZLG-UHFFFAOYSA-N
XLogP4.55
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 54.55
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

N-[2-methoxy-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]propanamide
CID 6496968
N-[2-methoxy-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2-phenoxyacetamide
CID 6496988
N-[2-methoxy-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-1-phenylcyclopentane-1-carboxamide
CID 22587197
3-bromo-4-methoxy-N-[2-methoxy-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide
CID 6497006
2-(4-chlorophenyl)-N-[2-methoxy-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]acetamide
CID 6497000
N-[2-methoxy-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2-(3-methylphenoxy)acetamide
CID 6497027
2-(2,4-dimethylphenoxy)-N-[2-methoxy-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]acetamide
CID 18524792
1,2-dimethoxybenzene;N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-pyridinyl]acetamide
CID 143409399
N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)-3-phenylprop-2-enamide
CID 7080283
(E)-N-[2-methoxy-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 17110685
3-chloro-4-ethoxy-N-[2-methoxy-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide
CID 17162544
N-[2-methoxy-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-3,5-dimethyl-4H-1,2-oxazole-5-carboxamide
CID 46991011

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-3-phenylprop-2-enamide?
The IUPAC name of N-[2-methoxy-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-3-phenylprop-2-enamide (CID 71965790) is N-[2-methoxy-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-3-phenylprop-2-enamide.
What is the SMILES notation for N-[2-methoxy-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-3-phenylprop-2-enamide?
The canonical SMILES for N-[2-methoxy-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-3-phenylprop-2-enamide is COc1ccc(-c2nc3ncccc3o2)cc1NC(=O)C=Cc1ccccc1.
What is the InChIKey of N-[2-methoxy-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-3-phenylprop-2-enamide?
The InChIKey is UNMPHBYKGCUZLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O3/c1-27-18-11-10-16(22-25-21-19(28-22)8-5-13-23-21)14-17(18)24-20(26)12-9-15-6-3-2-4-7-15/h2-14H,1H3,(H,24,26).
What are the key properties of N-[2-methoxy-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-3-phenylprop-2-enamide?
N-[2-methoxy-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-3-phenylprop-2-enamide has a molecular weight of 371.40 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-3-phenylprop-2-enamide is sourced from PubChem (CID 71965790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).