(1S,5S,6R)-3-[3-[2-(2-methoxyphenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]bicyclo[3.2.0]heptan-6-amine

C19H25N3O2 — CID 164634064

IUPAC(1S,5S,6R)-3-[3-[2-(2-methoxyphenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]bicyclo[3.2.0]heptan-6-amine
SMILESCOc1ccccc1C(C)(C)c1noc(C2C[C@H]3C[C@@H](N)[C@H]3C2)n1
InChIInChI=1S/C19H25N3O2/c1-19(2,14-6-4-5-7-16(14)23-3)18-21-17(24-22-18)12-8-11-10-15(20)13(11)9-12/h4-7,11-13,15H,8-10,20H2,1-3H3/t11-,12?,13-,15+/m0/s1
InChIKeyZVNVBNHGCULJFB-QPIMWOCDSA-N
MW327.43 g/mol
LogP3.24
Rot. Bonds4

About (1S,5S,6R)-3-[3-[2-(2-methoxyphenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]bicyclo[3.2.0]heptan-6-amine

(1S,5S,6R)-3-[3-[2-(2-methoxyphenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]bicyclo[3.2.0]heptan-6-amine (PubChem CID 164634064) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is (1S,5S,6R)-3-[3-[2-(2-methoxyphenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]bicyclo[3.2.0]heptan-6-amine.

Molecular Properties

Compound Name(1S,5S,6R)-3-[3-[2-(2-methoxyphenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]bicyclo[3.2.0]heptan-6-amine
PubChem CID164634064
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name(1S,5S,6R)-3-[3-[2-(2-methoxyphenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]bicyclo[3.2.0]heptan-6-amine
SMILESCOc1ccccc1C(C)(C)c1noc(C2C[C@H]3C[C@@H](N)[C@H]3C2)n1
InChIInChI=1S/C19H25N3O2/c1-19(2,14-6-4-5-7-16(14)23-3)18-21-17(24-22-18)12-8-11-10-15(20)13(11)9-12/h4-7,11-13,15H,8-10,20H2,1-3H3/t11-,12?,13-,15+/m0/s1
InChIKeyZVNVBNHGCULJFB-QPIMWOCDSA-N
XLogP3.24
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (1S,5S,6R)-3-[3-[2-(2-methoxyphenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]bicyclo[3.2.0]heptan-6-amine 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 (1S,5S,6R)-3-[3-[2-(2-methoxyphenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]bicyclo[3.2.0]heptan-6-amine?
The IUPAC name of (1S,5S,6R)-3-[3-[2-(2-methoxyphenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]bicyclo[3.2.0]heptan-6-amine (CID 164634064) is (1S,5S,6R)-3-[3-[2-(2-methoxyphenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]bicyclo[3.2.0]heptan-6-amine.
What is the SMILES notation for (1S,5S,6R)-3-[3-[2-(2-methoxyphenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]bicyclo[3.2.0]heptan-6-amine?
The canonical SMILES for (1S,5S,6R)-3-[3-[2-(2-methoxyphenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]bicyclo[3.2.0]heptan-6-amine is COc1ccccc1C(C)(C)c1noc(C2C[C@H]3C[C@@H](N)[C@H]3C2)n1.
What is the InChIKey of (1S,5S,6R)-3-[3-[2-(2-methoxyphenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]bicyclo[3.2.0]heptan-6-amine?
The InChIKey is ZVNVBNHGCULJFB-QPIMWOCDSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-19(2,14-6-4-5-7-16(14)23-3)18-21-17(24-22-18)12-8-11-10-15(20)13(11)9-12/h4-7,11-13,15H,8-10,20H2,1-3H3/t11-,12?,13-,15+/m0/s1.
What are the key properties of (1S,5S,6R)-3-[3-[2-(2-methoxyphenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]bicyclo[3.2.0]heptan-6-amine?
(1S,5S,6R)-3-[3-[2-(2-methoxyphenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]bicyclo[3.2.0]heptan-6-amine has a molecular weight of 327.43 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5S,6R)-3-[3-[2-(2-methoxyphenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]bicyclo[3.2.0]heptan-6-amine is sourced from PubChem (CID 164634064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).