(5-methyl-1,2-oxazol-3-yl)-[5-(prop-2-enoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]methanone

C17H19N3O3 — CID 97463771

IUPAC(5-methyl-1,2-oxazol-3-yl)-[5-(prop-2-enoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]methanone
SMILESC=CCOCc1cncc2c1CCN(C(=O)c1cc(C)on1)C2
InChIInChI=1S/C17H19N3O3/c1-3-6-22-11-14-9-18-8-13-10-20(5-4-15(13)14)17(21)16-7-12(2)23-19-16/h3,7-9H,1,4-6,10-11H2,2H3
InChIKeyQIFNXECIBUHMLA-UHFFFAOYSA-N
MW313.36 g/mol
LogP2.28
Rot. Bonds5

About (5-methyl-1,2-oxazol-3-yl)-[5-(prop-2-enoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]methanone

(5-methyl-1,2-oxazol-3-yl)-[5-(prop-2-enoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]methanone (PubChem CID 97463771) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is (5-methyl-1,2-oxazol-3-yl)-[5-(prop-2-enoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]methanone.

Molecular Properties

Compound Name(5-methyl-1,2-oxazol-3-yl)-[5-(prop-2-enoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]methanone
PubChem CID97463771
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Name(5-methyl-1,2-oxazol-3-yl)-[5-(prop-2-enoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]methanone
SMILESC=CCOCc1cncc2c1CCN(C(=O)c1cc(C)on1)C2
InChIInChI=1S/C17H19N3O3/c1-3-6-22-11-14-9-18-8-13-10-20(5-4-15(13)14)17(21)16-7-12(2)23-19-16/h3,7-9H,1,4-6,10-11H2,2H3
InChIKeyQIFNXECIBUHMLA-UHFFFAOYSA-N
XLogP2.28
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(5-methyl-1,2-oxazol-3-yl)-[5-(2-methylpropoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]methanone
CID 97463736
3-phenyl-1-[5-(prop-2-enoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]propan-1-one
CID 124869444
2-[(5-methylthiophen-2-yl)methyl]-5-(prop-2-enoxymethyl)-3,4-dihydro-1H-2,7-naphthyridine;bis(2,2,2-trifluoroacetic acid)
CID 155855905
1-[5-(methoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]ethanone
CID 97463707
[5-(ethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-(1,3-thiazol-4-yl)methanone;2,2,2-trifluoroacetic acid
CID 118744611
1-[5-(cyclopropylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]ethanone
CID 155878126
(2-methylfuran-3-yl)-[5-(pyridin-4-ylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]methanone
CID 97406098
furan-2-yl-[5-(pyridin-4-ylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]methanone
CID 97381988
5-(prop-2-enoxymethyl)-2-(thiophen-2-ylmethyl)-3,4-dihydro-1H-2,7-naphthyridine;bis(2,2,2-trifluoroacetic acid)
CID 155828636
[5-(ethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-(3-methylfuran-2-yl)methanone;2,2,2-trifluoroacetic acid
CID 155826687
[5-[(dimethylamino)methyl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-(5-methylpyrazin-2-yl)methanone
CID 124813693
[5-(cyclopropylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-(4-methylcyclohexyl)methanone
CID 131689608

Frequently Asked Questions

What is the IUPAC name of (5-methyl-1,2-oxazol-3-yl)-[5-(prop-2-enoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]methanone?
The IUPAC name of (5-methyl-1,2-oxazol-3-yl)-[5-(prop-2-enoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]methanone (CID 97463771) is (5-methyl-1,2-oxazol-3-yl)-[5-(prop-2-enoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]methanone.
What is the SMILES notation for (5-methyl-1,2-oxazol-3-yl)-[5-(prop-2-enoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]methanone?
The canonical SMILES for (5-methyl-1,2-oxazol-3-yl)-[5-(prop-2-enoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]methanone is C=CCOCc1cncc2c1CCN(C(=O)c1cc(C)on1)C2.
What is the InChIKey of (5-methyl-1,2-oxazol-3-yl)-[5-(prop-2-enoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]methanone?
The InChIKey is QIFNXECIBUHMLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-3-6-22-11-14-9-18-8-13-10-20(5-4-15(13)14)17(21)16-7-12(2)23-19-16/h3,7-9H,1,4-6,10-11H2,2H3.
What are the key properties of (5-methyl-1,2-oxazol-3-yl)-[5-(prop-2-enoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]methanone?
(5-methyl-1,2-oxazol-3-yl)-[5-(prop-2-enoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]methanone has a molecular weight of 313.36 g/mol, XLogP of 2.28, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1,2-oxazol-3-yl)-[5-(prop-2-enoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]methanone is sourced from PubChem (CID 97463771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).