(6-chloro-1,3-benzoxazol-2-yl)-[(3R)-pyrrolidin-3-yl]methanamine

C12H14ClN3O — CID 67075692

IUPAC(6-chloro-1,3-benzoxazol-2-yl)-[(3R)-pyrrolidin-3-yl]methanamine
SMILESNC(c1nc2ccc(Cl)cc2o1)[C@@H]1CCNC1
InChIInChI=1S/C12H14ClN3O/c13-8-1-2-9-10(5-8)17-12(16-9)11(14)7-3-4-15-6-7/h1-2,5,7,11,15H,3-4,6,14H2/t7-,11?/m1/s1
InChIKeyQBWYECIFHIOISF-DKSCNQEISA-N
MW251.72 g/mol
LogP2.09
Rot. Bonds2

About (6-chloro-1,3-benzoxazol-2-yl)-[(3R)-pyrrolidin-3-yl]methanamine

(6-chloro-1,3-benzoxazol-2-yl)-[(3R)-pyrrolidin-3-yl]methanamine (PubChem CID 67075692) has the molecular formula C12H14ClN3O and a molecular weight of 251.72 g/mol. Its IUPAC name is (6-chloro-1,3-benzoxazol-2-yl)-[(3R)-pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name(6-chloro-1,3-benzoxazol-2-yl)-[(3R)-pyrrolidin-3-yl]methanamine
PubChem CID67075692
Molecular FormulaC12H14ClN3O
Molecular Weight251.72 g/mol
Exact Mass251.08
IUPAC Name(6-chloro-1,3-benzoxazol-2-yl)-[(3R)-pyrrolidin-3-yl]methanamine
SMILESNC(c1nc2ccc(Cl)cc2o1)[C@@H]1CCNC1
InChIInChI=1S/C12H14ClN3O/c13-8-1-2-9-10(5-8)17-12(16-9)11(14)7-3-4-15-6-7/h1-2,5,7,11,15H,3-4,6,14H2/t7-,11?/m1/s1
InChIKeyQBWYECIFHIOISF-DKSCNQEISA-N
XLogP2.09
TPSA64.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.72
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (6-chloro-1,3-benzoxazol-2-yl)-[(3R)-pyrrolidin-3-yl]methanamine 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

6-chloro-2-(2-pyrrolidin-3-ylethyl)-1,3-benzoxazole
CID 58200841
5-chloro-2-pyrrolidin-3-yl-1,3-benzoxazole
CID 63032538
6-chloro-2-pentan-3-yl-1,3-benzoxazole
CID 175910194
3-amino-1-(6-chloro-1,3-benzoxazol-2-yl)propan-1-ol
CID 107837473
6-(6-chloro-1,3-benzoxazol-2-yl)heptan-2-amine
CID 81434305
2-[5-[amino-[(3R)-pyrrolidin-3-yl]methyl]-3-pyridinyl]-6-chloro-1-methylindole-3-carbonitrile
CID 174820898
(4-chlorophenyl)-piperidin-4-ylmethanamine;dihydrochloride
CID 24829096
(4-propan-2-ylphenyl)-pyrrolidin-3-ylmethanamine
CID 116935488
5-chloro-2-piperidin-3-yl-1,3-benzoxazole
CID 43114866
(R)-(2-bromo-4-chlorophenyl)-piperidin-4-ylmethanamine
CID 171314303
(R)-(3-chlorophenyl)-piperidin-4-ylmethanamine
CID 171314128
2-[(S)-(4-chloro-2-fluorophenoxy)-pyrrolidin-3-ylmethyl]-1,3-oxazole
CID 66753273

Frequently Asked Questions

What is the IUPAC name of (6-chloro-1,3-benzoxazol-2-yl)-[(3R)-pyrrolidin-3-yl]methanamine?
The IUPAC name of (6-chloro-1,3-benzoxazol-2-yl)-[(3R)-pyrrolidin-3-yl]methanamine (CID 67075692) is (6-chloro-1,3-benzoxazol-2-yl)-[(3R)-pyrrolidin-3-yl]methanamine.
What is the SMILES notation for (6-chloro-1,3-benzoxazol-2-yl)-[(3R)-pyrrolidin-3-yl]methanamine?
The canonical SMILES for (6-chloro-1,3-benzoxazol-2-yl)-[(3R)-pyrrolidin-3-yl]methanamine is NC(c1nc2ccc(Cl)cc2o1)[C@@H]1CCNC1.
What is the InChIKey of (6-chloro-1,3-benzoxazol-2-yl)-[(3R)-pyrrolidin-3-yl]methanamine?
The InChIKey is QBWYECIFHIOISF-DKSCNQEISA-N. The full InChI is InChI=1S/C12H14ClN3O/c13-8-1-2-9-10(5-8)17-12(16-9)11(14)7-3-4-15-6-7/h1-2,5,7,11,15H,3-4,6,14H2/t7-,11?/m1/s1.
What are the key properties of (6-chloro-1,3-benzoxazol-2-yl)-[(3R)-pyrrolidin-3-yl]methanamine?
(6-chloro-1,3-benzoxazol-2-yl)-[(3R)-pyrrolidin-3-yl]methanamine has a molecular weight of 251.72 g/mol, XLogP of 2.09, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-1,3-benzoxazol-2-yl)-[(3R)-pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 67075692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).