cis-(1S,3R)-3-(5-bromo-1,3-benzoxazol-2-yl)cyclopentan-1-amine

C12H13BrN2O — CID 106323731

IUPACcis-(1S,3R)-3-(5-bromo-1,3-benzoxazol-2-yl)cyclopentan-1-amine
SMILESN[C@H]1CC[C@@H](c2nc3cc(Br)ccc3o2)C1
InChIInChI=1S/C12H13BrN2O/c13-8-2-4-11-10(6-8)15-12(16-11)7-1-3-9(14)5-7/h2,4,6-7,9H,1,3,5,14H2/t7-,9+/m1/s1
InChIKeyJDTRQIKTUAUIBI-APPZFPTMSA-N
MW281.15 g/mol
LogP3.19
Rot. Bonds1

About cis-(1S,3R)-3-(5-bromo-1,3-benzoxazol-2-yl)cyclopentan-1-amine

cis-(1S,3R)-3-(5-bromo-1,3-benzoxazol-2-yl)cyclopentan-1-amine (PubChem CID 106323731) has the molecular formula C12H13BrN2O and a molecular weight of 281.15 g/mol. Its IUPAC name is cis-(1S,3R)-3-(5-bromo-1,3-benzoxazol-2-yl)cyclopentan-1-amine.

Molecular Properties

Compound Namecis-(1S,3R)-3-(5-bromo-1,3-benzoxazol-2-yl)cyclopentan-1-amine
PubChem CID106323731
Molecular FormulaC12H13BrN2O
Molecular Weight281.15 g/mol
Exact Mass280.02
IUPAC Namecis-(1S,3R)-3-(5-bromo-1,3-benzoxazol-2-yl)cyclopentan-1-amine
SMILESN[C@H]1CC[C@@H](c2nc3cc(Br)ccc3o2)C1
InChIInChI=1S/C12H13BrN2O/c13-8-2-4-11-10(6-8)15-12(16-11)7-1-3-9(14)5-7/h2,4,6-7,9H,1,3,5,14H2/t7-,9+/m1/s1
InChIKeyJDTRQIKTUAUIBI-APPZFPTMSA-N
XLogP3.19
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.15
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze cis-(1S,3R)-3-(5-bromo-1,3-benzoxazol-2-yl)cyclopentan-1-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

3-(5-fluoro-1,3-benzoxazol-2-yl)cyclopentan-1-amine
CID 66032790
cis-(1S,3R)-3-(6-chloro-1,3-benzoxazol-2-yl)cyclopentan-1-amine
CID 106323743
methyl 4-(5-bromo-1,3-benzoxazol-2-yl)cyclohexane-1-carboxylate
CID 135155937
5-bromo-2-(1-phenylpiperidin-4-yl)-1,3-benzoxazole
CID 135155998
5-bromo-2-(3,4-dihydro-2H-chromen-3-yl)-1,3-benzoxazole
CID 163241875
3-(4-methyl-1,3-benzoxazol-2-yl)cyclopentan-1-amine
CID 66032788
3-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine;hydrochloride
CID 119947825
2-cyclohexyl-1,3-benzoxazol-5-amine
CID 770201
2-cyclopropyl-5-(2-methylpropyl)-1,3-benzoxazole
CID 82230675
tert-butyl 3-(5-bromo-1,3-benzoxazol-2-yl)azetidine-1-carboxylate
CID 170951246
4-(2-cyclopropyl-1,3-benzoxazol-5-yl)-1H-pyrazol-5-amine
CID 117353133
3-(3-bromophenyl)cyclopentan-1-amine
CID 82129934

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-3-(5-bromo-1,3-benzoxazol-2-yl)cyclopentan-1-amine?
The IUPAC name of cis-(1S,3R)-3-(5-bromo-1,3-benzoxazol-2-yl)cyclopentan-1-amine (CID 106323731) is cis-(1S,3R)-3-(5-bromo-1,3-benzoxazol-2-yl)cyclopentan-1-amine.
What is the SMILES notation for cis-(1S,3R)-3-(5-bromo-1,3-benzoxazol-2-yl)cyclopentan-1-amine?
The canonical SMILES for cis-(1S,3R)-3-(5-bromo-1,3-benzoxazol-2-yl)cyclopentan-1-amine is N[C@H]1CC[C@@H](c2nc3cc(Br)ccc3o2)C1.
What is the InChIKey of cis-(1S,3R)-3-(5-bromo-1,3-benzoxazol-2-yl)cyclopentan-1-amine?
The InChIKey is JDTRQIKTUAUIBI-APPZFPTMSA-N. The full InChI is InChI=1S/C12H13BrN2O/c13-8-2-4-11-10(6-8)15-12(16-11)7-1-3-9(14)5-7/h2,4,6-7,9H,1,3,5,14H2/t7-,9+/m1/s1.
What are the key properties of cis-(1S,3R)-3-(5-bromo-1,3-benzoxazol-2-yl)cyclopentan-1-amine?
cis-(1S,3R)-3-(5-bromo-1,3-benzoxazol-2-yl)cyclopentan-1-amine has a molecular weight of 281.15 g/mol, XLogP of 3.19, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-3-(5-bromo-1,3-benzoxazol-2-yl)cyclopentan-1-amine is sourced from PubChem (CID 106323731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).