(5-methyl-1-benzofuran-2-yl)-(3-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)methanone

C18H16N2O3 — CID 75469676

IUPAC(5-methyl-1-benzofuran-2-yl)-(3-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)methanone
SMILESCc1ccc2oc(C(=O)N3CC(C)Oc4ncccc43)cc2c1
InChIInChI=1S/C18H16N2O3/c1-11-5-6-15-13(8-11)9-16(23-15)18(21)20-10-12(2)22-17-14(20)4-3-7-19-17/h3-9,12H,10H2,1-2H3
InChIKeyJYHIIHKNMOEYDV-UHFFFAOYSA-N
MW308.34 g/mol
LogP3.56
Rot. Bonds1

About (5-methyl-1-benzofuran-2-yl)-(3-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)methanone

(5-methyl-1-benzofuran-2-yl)-(3-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)methanone (PubChem CID 75469676) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is (5-methyl-1-benzofuran-2-yl)-(3-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)methanone.

Molecular Properties

Compound Name(5-methyl-1-benzofuran-2-yl)-(3-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)methanone
PubChem CID75469676
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC Name(5-methyl-1-benzofuran-2-yl)-(3-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)methanone
SMILESCc1ccc2oc(C(=O)N3CC(C)Oc4ncccc43)cc2c1
InChIInChI=1S/C18H16N2O3/c1-11-5-6-15-13(8-11)9-16(23-15)18(21)20-10-12(2)22-17-14(20)4-3-7-19-17/h3-9,12H,10H2,1-2H3
InChIKeyJYHIIHKNMOEYDV-UHFFFAOYSA-N
XLogP3.56
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (5-methyl-1-benzofuran-2-yl)-(3-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)methanone with MolForge

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Related Compounds

(5-bromo-1-benzofuran-2-yl)-[(3S)-3-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl]methanone
CID 97326298
[(3S)-3-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl]-(2,3,5,6-tetrafluorophenyl)methanone
CID 97094755
4-methyl-3-[(3S)-3-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carbonyl]chromen-2-one
CID 99827036
[2-(aminomethyl)-6-methylmorpholin-4-yl]-(5-methyl-1-benzofuran-2-yl)methanone
CID 102938388
[(2S)-2,6-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl]-(4-methyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanone
CID 96568872
(1,4-dimethylpiperazin-2-yl)-(5-methyl-1-benzofuran-2-yl)methanone
CID 114725716
(3,5-dimethylcyclohexyl)-(5-methyl-1-benzofuran-2-yl)methanone
CID 105105126
N-cyclopentyl-5-methyl-1-benzofuran-2-carboxamide
CID 17015654
methyl 1-(5-methyl-1-benzofuran-2-carbonyl)pyrrolidine-2-carboxylate
CID 61219649
1,3-dimethyl-2,3-dihydropyrido[2,3-b][1,4]oxazine
CID 150405091
4-methyl-7-(3-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carbonyl)-1,3-dihydropyrido[2,3-b]pyrazin-2-one
CID 154765396
1-(5-methyl-1-benzofuran-2-carbonyl)piperidin-4-one
CID 55012658

Frequently Asked Questions

What is the IUPAC name of (5-methyl-1-benzofuran-2-yl)-(3-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)methanone?
The IUPAC name of (5-methyl-1-benzofuran-2-yl)-(3-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)methanone (CID 75469676) is (5-methyl-1-benzofuran-2-yl)-(3-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)methanone.
What is the SMILES notation for (5-methyl-1-benzofuran-2-yl)-(3-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)methanone?
The canonical SMILES for (5-methyl-1-benzofuran-2-yl)-(3-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)methanone is Cc1ccc2oc(C(=O)N3CC(C)Oc4ncccc43)cc2c1.
What is the InChIKey of (5-methyl-1-benzofuran-2-yl)-(3-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)methanone?
The InChIKey is JYHIIHKNMOEYDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3/c1-11-5-6-15-13(8-11)9-16(23-15)18(21)20-10-12(2)22-17-14(20)4-3-7-19-17/h3-9,12H,10H2,1-2H3.
What are the key properties of (5-methyl-1-benzofuran-2-yl)-(3-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)methanone?
(5-methyl-1-benzofuran-2-yl)-(3-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)methanone has a molecular weight of 308.34 g/mol, XLogP of 3.56, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1-benzofuran-2-yl)-(3-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)methanone is sourced from PubChem (CID 75469676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).