5-(7-bromo-2-pyrrolidin-1-ylquinolin-4-yl)-1,3-oxazole

C16H14BrN3O — CID 169177596

IUPAC5-(7-bromo-2-pyrrolidin-1-ylquinolin-4-yl)-1,3-oxazole
SMILESBrc1ccc2c(-c3cnco3)cc(N3CCCC3)nc2c1
InChIInChI=1S/C16H14BrN3O/c17-11-3-4-12-13(15-9-18-10-21-15)8-16(19-14(12)7-11)20-5-1-2-6-20/h3-4,7-10H,1-2,5-6H2
InChIKeyRHPTWBFDTGQLQE-UHFFFAOYSA-N
MW344.21 g/mol
LogP4.25
Rot. Bonds2

About 5-(7-bromo-2-pyrrolidin-1-ylquinolin-4-yl)-1,3-oxazole

5-(7-bromo-2-pyrrolidin-1-ylquinolin-4-yl)-1,3-oxazole (PubChem CID 169177596) has the molecular formula C16H14BrN3O and a molecular weight of 344.21 g/mol. Its IUPAC name is 5-(7-bromo-2-pyrrolidin-1-ylquinolin-4-yl)-1,3-oxazole.

Molecular Properties

Compound Name5-(7-bromo-2-pyrrolidin-1-ylquinolin-4-yl)-1,3-oxazole
PubChem CID169177596
Molecular FormulaC16H14BrN3O
Molecular Weight344.21 g/mol
Exact Mass343.03
IUPAC Name5-(7-bromo-2-pyrrolidin-1-ylquinolin-4-yl)-1,3-oxazole
SMILESBrc1ccc2c(-c3cnco3)cc(N3CCCC3)nc2c1
InChIInChI=1S/C16H14BrN3O/c17-11-3-4-12-13(15-9-18-10-21-15)8-16(19-14(12)7-11)20-5-1-2-6-20/h3-4,7-10H,1-2,5-6H2
InChIKeyRHPTWBFDTGQLQE-UHFFFAOYSA-N
XLogP4.25
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.21
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-(7-bromo-2-pyrrolidin-1-ylquinolin-4-yl)-1,3-oxazole 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

tert-butyl 3-[[(2S)-1-[7-bromo-4-(1,3-oxazol-5-yl)quinolin-2-yl]pyrrolidin-2-yl]methoxy]propanoate
CID 169177321
7-bromo-2-chloro-4-pyrrolidin-1-ylquinazoline
CID 114693019
5-(4-bromo-2-ethylphenyl)-1,3-oxazole
CID 146035075
4-(azepan-1-yl)-7-bromo-2-methylquinazoline
CID 69428086
5-(4-bromophenyl)-1,3-oxazole
CID 2776418
6-bromo-2-piperidin-1-ylquinazoline
CID 165497693
4-phenyl-2-piperidin-1-ylpyrido[2,3-d]pyridazine
CID 14241253
5-[5-(4-bromophenyl)-1-methylpyrazol-3-yl]-1,3-oxazole
CID 135267660
1-(5-bromo-2-pyridinyl)azocane
CID 55137358
10-bromo-2,3,4,5-tetrahydro-[1,3]oxazepino[2,3-b]quinazolin-7-one
CID 90249541
5-(3,5-dibromophenyl)-1,3-oxazole
CID 91400423
5-bromo-2-piperidin-1-ylpyridine;hydrochloride
CID 53217409

Frequently Asked Questions

What is the IUPAC name of 5-(7-bromo-2-pyrrolidin-1-ylquinolin-4-yl)-1,3-oxazole?
The IUPAC name of 5-(7-bromo-2-pyrrolidin-1-ylquinolin-4-yl)-1,3-oxazole (CID 169177596) is 5-(7-bromo-2-pyrrolidin-1-ylquinolin-4-yl)-1,3-oxazole.
What is the SMILES notation for 5-(7-bromo-2-pyrrolidin-1-ylquinolin-4-yl)-1,3-oxazole?
The canonical SMILES for 5-(7-bromo-2-pyrrolidin-1-ylquinolin-4-yl)-1,3-oxazole is Brc1ccc2c(-c3cnco3)cc(N3CCCC3)nc2c1.
What is the InChIKey of 5-(7-bromo-2-pyrrolidin-1-ylquinolin-4-yl)-1,3-oxazole?
The InChIKey is RHPTWBFDTGQLQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN3O/c17-11-3-4-12-13(15-9-18-10-21-15)8-16(19-14(12)7-11)20-5-1-2-6-20/h3-4,7-10H,1-2,5-6H2.
What are the key properties of 5-(7-bromo-2-pyrrolidin-1-ylquinolin-4-yl)-1,3-oxazole?
5-(7-bromo-2-pyrrolidin-1-ylquinolin-4-yl)-1,3-oxazole has a molecular weight of 344.21 g/mol, XLogP of 4.25, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7-bromo-2-pyrrolidin-1-ylquinolin-4-yl)-1,3-oxazole is sourced from PubChem (CID 169177596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).