(2-bromo-5-methoxyphenyl)-(6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)methanone

C14H13BrN2O3 — CID 86265117

IUPAC(2-bromo-5-methoxyphenyl)-(6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)methanone
SMILESCOc1ccc(Br)c(C(=O)N2CCc3oncc3C2)c1
InChIInChI=1S/C14H13BrN2O3/c1-19-10-2-3-12(15)11(6-10)14(18)17-5-4-13-9(8-17)7-16-20-13/h2-3,6-7H,4-5,8H2,1H3
InChIKeyNAEFMVIZIIGPJK-UHFFFAOYSA-N
MW337.17 g/mol
LogP2.64
Rot. Bonds2

About (2-bromo-5-methoxyphenyl)-(6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)methanone

(2-bromo-5-methoxyphenyl)-(6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)methanone (PubChem CID 86265117) has the molecular formula C14H13BrN2O3 and a molecular weight of 337.17 g/mol. Its IUPAC name is (2-bromo-5-methoxyphenyl)-(6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)methanone.

Molecular Properties

Compound Name(2-bromo-5-methoxyphenyl)-(6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)methanone
PubChem CID86265117
Molecular FormulaC14H13BrN2O3
Molecular Weight337.17 g/mol
Exact Mass336.01
IUPAC Name(2-bromo-5-methoxyphenyl)-(6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)methanone
SMILESCOc1ccc(Br)c(C(=O)N2CCc3oncc3C2)c1
InChIInChI=1S/C14H13BrN2O3/c1-19-10-2-3-12(15)11(6-10)14(18)17-5-4-13-9(8-17)7-16-20-13/h2-3,6-7H,4-5,8H2,1H3
InChIKeyNAEFMVIZIIGPJK-UHFFFAOYSA-N
XLogP2.64
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.17
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2-bromo-5-methoxyphenyl)-(6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-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

Frequently Asked Questions

What is the IUPAC name of (2-bromo-5-methoxyphenyl)-(6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)methanone?
The IUPAC name of (2-bromo-5-methoxyphenyl)-(6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)methanone (CID 86265117) is (2-bromo-5-methoxyphenyl)-(6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)methanone.
What is the SMILES notation for (2-bromo-5-methoxyphenyl)-(6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)methanone?
The canonical SMILES for (2-bromo-5-methoxyphenyl)-(6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)methanone is COc1ccc(Br)c(C(=O)N2CCc3oncc3C2)c1.
What is the InChIKey of (2-bromo-5-methoxyphenyl)-(6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)methanone?
The InChIKey is NAEFMVIZIIGPJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O3/c1-19-10-2-3-12(15)11(6-10)14(18)17-5-4-13-9(8-17)7-16-20-13/h2-3,6-7H,4-5,8H2,1H3.
What are the key properties of (2-bromo-5-methoxyphenyl)-(6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)methanone?
(2-bromo-5-methoxyphenyl)-(6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)methanone has a molecular weight of 337.17 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-5-methoxyphenyl)-(6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)methanone is sourced from PubChem (CID 86265117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).