(5R)-5-(4-bromophenyl)-4,5-dihydro-1,3-oxazol-2-amine

C9H9BrN2O — CID 95035037

IUPAC(5R)-5-(4-bromophenyl)-4,5-dihydro-1,3-oxazol-2-amine
SMILESNC1=NC[C@@H](c2ccc(Br)cc2)O1
InChIInChI=1S/C9H9BrN2O/c10-7-3-1-6(2-4-7)8-5-12-9(11)13-8/h1-4,8H,5H2,(H2,11,12)/t8-/m0/s1
InChIKeyQKNWNIQGFNMGFH-QMMMGPOBSA-N
MW241.09 g/mol
LogP1.84
Rot. Bonds1

About (5R)-5-(4-bromophenyl)-4,5-dihydro-1,3-oxazol-2-amine

(5R)-5-(4-bromophenyl)-4,5-dihydro-1,3-oxazol-2-amine (PubChem CID 95035037) has the molecular formula C9H9BrN2O and a molecular weight of 241.09 g/mol. Its IUPAC name is (5R)-5-(4-bromophenyl)-4,5-dihydro-1,3-oxazol-2-amine.

Molecular Properties

Compound Name(5R)-5-(4-bromophenyl)-4,5-dihydro-1,3-oxazol-2-amine
PubChem CID95035037
Molecular FormulaC9H9BrN2O
Molecular Weight241.09 g/mol
Exact Mass239.99
IUPAC Name(5R)-5-(4-bromophenyl)-4,5-dihydro-1,3-oxazol-2-amine
SMILESNC1=NC[C@@H](c2ccc(Br)cc2)O1
InChIInChI=1S/C9H9BrN2O/c10-7-3-1-6(2-4-7)8-5-12-9(11)13-8/h1-4,8H,5H2,(H2,11,12)/t8-/m0/s1
InChIKeyQKNWNIQGFNMGFH-QMMMGPOBSA-N
XLogP1.84
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.09
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (5R)-5-(4-bromophenyl)-4,5-dihydro-1,3-oxazol-2-amine 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

Aminorex
CID 16630
4,5-Dihydro-4-methyl-5-phenyl-2-oxazolamine
CID 92196
(4S,5R)-4-Methylaminorex
CID 3058692
2-Aminomethyl-5-(p-bromophenyl)tetrahydrofuran
CID 11644566
(S)-4-(4-Bromophenyl)-4,5-dihydrooxazol-2-amine
CID 24966115
4-Methylaminorex, (4S,5S)-
CID 214156
(4S)-4-(4-bromo-2-fluorophenyl)-4,5-dihydro-1,3-oxazol-2-amine
CID 59323817
(RS)-4-(4-bromo-phenyl)-4,5-dihydro-oxazol-2-ylamine
CID 59323892
(RS)-4-(4-bromo-3-fluoro-phenyl)-4,5-dihydro-oxazol-2-ylamine
CID 59323784
4-(4-Bromo-2-fluorophenyl)-4,5-dihydro-1,3-oxazol-2-amine
CID 59323814
(4S)-4-(4-bromo-3-fluorophenyl)-4,5-dihydro-1,3-oxazol-2-amine
CID 59323862
(4R,5R)-4-Methylaminorex
CID 15560173

Frequently Asked Questions

What is the IUPAC name of (5R)-5-(4-bromophenyl)-4,5-dihydro-1,3-oxazol-2-amine?
The IUPAC name of (5R)-5-(4-bromophenyl)-4,5-dihydro-1,3-oxazol-2-amine (CID 95035037) is (5R)-5-(4-bromophenyl)-4,5-dihydro-1,3-oxazol-2-amine.
What is the SMILES notation for (5R)-5-(4-bromophenyl)-4,5-dihydro-1,3-oxazol-2-amine?
The canonical SMILES for (5R)-5-(4-bromophenyl)-4,5-dihydro-1,3-oxazol-2-amine is NC1=NC[C@@H](c2ccc(Br)cc2)O1.
What is the InChIKey of (5R)-5-(4-bromophenyl)-4,5-dihydro-1,3-oxazol-2-amine?
The InChIKey is QKNWNIQGFNMGFH-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H9BrN2O/c10-7-3-1-6(2-4-7)8-5-12-9(11)13-8/h1-4,8H,5H2,(H2,11,12)/t8-/m0/s1.
What are the key properties of (5R)-5-(4-bromophenyl)-4,5-dihydro-1,3-oxazol-2-amine?
(5R)-5-(4-bromophenyl)-4,5-dihydro-1,3-oxazol-2-amine has a molecular weight of 241.09 g/mol, XLogP of 1.84, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(4-bromophenyl)-4,5-dihydro-1,3-oxazol-2-amine is sourced from PubChem (CID 95035037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).