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

C17H13BrN2O3 — CID 97326298

IUPAC(5-bromo-1-benzofuran-2-yl)-[(3S)-3-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl]methanone
SMILESC[C@H]1CN(C(=O)c2cc3cc(Br)ccc3o2)c2cccnc2O1
InChIInChI=1S/C17H13BrN2O3/c1-10-9-20(13-3-2-6-19-16(13)22-10)17(21)15-8-11-7-12(18)4-5-14(11)23-15/h2-8,10H,9H2,1H3/t10-/m0/s1
InChIKeyRCPBLLSTMUHCNI-JTQLQIEISA-N
MW373.21 g/mol
LogP4.02
Rot. Bonds1

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

(5-bromo-1-benzofuran-2-yl)-[(3S)-3-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl]methanone (PubChem CID 97326298) has the molecular formula C17H13BrN2O3 and a molecular weight of 373.21 g/mol. Its IUPAC name is (5-bromo-1-benzofuran-2-yl)-[(3S)-3-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl]methanone.

Molecular Properties

Compound Name(5-bromo-1-benzofuran-2-yl)-[(3S)-3-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl]methanone
PubChem CID97326298
Molecular FormulaC17H13BrN2O3
Molecular Weight373.21 g/mol
Exact Mass372.01
IUPAC Name(5-bromo-1-benzofuran-2-yl)-[(3S)-3-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl]methanone
SMILESC[C@H]1CN(C(=O)c2cc3cc(Br)ccc3o2)c2cccnc2O1
InChIInChI=1S/C17H13BrN2O3/c1-10-9-20(13-3-2-6-19-16(13)22-10)17(21)15-8-11-7-12(18)4-5-14(11)23-15/h2-8,10H,9H2,1H3/t10-/m0/s1
InChIKeyRCPBLLSTMUHCNI-JTQLQIEISA-N
XLogP4.02
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.21
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5-methyl-1-benzofuran-2-yl)-(3-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)methanone
CID 75469676
[(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
(2R)-1-(5-bromo-1-benzofuran-2-carbonyl)pyrrolidine-2-carboxamide
CID 95118501
5-bromo-N-[2-(3-methylpiperidin-1-yl)ethyl]-1-benzofuran-2-carboxamide
CID 55723615
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
5-bromo-N-(2,5-dimethylpyrrol-1-yl)-1-benzofuran-2-carboxamide
CID 43822479
2-[4-(5-bromo-1-benzofuran-2-carbonyl)morpholin-2-yl]acetic acid
CID 119247587
N-[1-(5-bromo-1-benzofuran-2-carbonyl)piperidin-4-yl]-N-methylacetamide
CID 49264037
(5-bromo-1-benzofuran-2-yl)-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methanone
CID 52877254
SODIUM, 5-BROMO-BENZOFURAN-2-CARBOXYLATE
CID 126957561
3-(5-bromo-1-benzofuran-2-carbonyl)-1-(2,3-dimethylphenyl)-4-hydroxy-2-pyridin-2-yl-2H-pyrrol-5-one
CID 108626135

Frequently Asked Questions

What is the IUPAC name of (5-bromo-1-benzofuran-2-yl)-[(3S)-3-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl]methanone?
The IUPAC name of (5-bromo-1-benzofuran-2-yl)-[(3S)-3-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl]methanone (CID 97326298) is (5-bromo-1-benzofuran-2-yl)-[(3S)-3-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl]methanone.
What is the SMILES notation for (5-bromo-1-benzofuran-2-yl)-[(3S)-3-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl]methanone?
The canonical SMILES for (5-bromo-1-benzofuran-2-yl)-[(3S)-3-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl]methanone is C[C@H]1CN(C(=O)c2cc3cc(Br)ccc3o2)c2cccnc2O1.
What is the InChIKey of (5-bromo-1-benzofuran-2-yl)-[(3S)-3-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl]methanone?
The InChIKey is RCPBLLSTMUHCNI-JTQLQIEISA-N. The full InChI is InChI=1S/C17H13BrN2O3/c1-10-9-20(13-3-2-6-19-16(13)22-10)17(21)15-8-11-7-12(18)4-5-14(11)23-15/h2-8,10H,9H2,1H3/t10-/m0/s1.
What are the key properties of (5-bromo-1-benzofuran-2-yl)-[(3S)-3-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl]methanone?
(5-bromo-1-benzofuran-2-yl)-[(3S)-3-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl]methanone has a molecular weight of 373.21 g/mol, XLogP of 4.02, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-1-benzofuran-2-yl)-[(3S)-3-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl]methanone is sourced from PubChem (CID 97326298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).