(1S,3aR,7aR)-5-(cyclopropylmethyl)-1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine

C17H25N3O2 — CID 97475676

IUPAC(1S,3aR,7aR)-5-(cyclopropylmethyl)-1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine
SMILESC1CC1CN1CC[C@@H]2[C@@H](CO[C@H]2Cc2nnc(C3CC3)o2)C1
InChIInChI=1S/C17H25N3O2/c1-2-11(1)8-20-6-5-14-13(9-20)10-21-15(14)7-16-18-19-17(22-16)12-3-4-12/h11-15H,1-10H2/t13-,14-,15+/m1/s1
InChIKeySIHDSFUYMGRMDN-KFWWJZLASA-N
MW303.41 g/mol
LogP2.24
Rot. Bonds5

About (1S,3aR,7aR)-5-(cyclopropylmethyl)-1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine

(1S,3aR,7aR)-5-(cyclopropylmethyl)-1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine (PubChem CID 97475676) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is (1S,3aR,7aR)-5-(cyclopropylmethyl)-1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine.

Molecular Properties

Compound Name(1S,3aR,7aR)-5-(cyclopropylmethyl)-1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine
PubChem CID97475676
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name(1S,3aR,7aR)-5-(cyclopropylmethyl)-1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine
SMILESC1CC1CN1CC[C@@H]2[C@@H](CO[C@H]2Cc2nnc(C3CC3)o2)C1
InChIInChI=1S/C17H25N3O2/c1-2-11(1)8-20-6-5-14-13(9-20)10-21-15(14)7-16-18-19-17(22-16)12-3-4-12/h11-15H,1-10H2/t13-,14-,15+/m1/s1
InChIKeySIHDSFUYMGRMDN-KFWWJZLASA-N
XLogP2.24
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (1S,3aR,7aR)-5-(cyclopropylmethyl)-1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine 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,3aR,7aR)-5-(cyclopropylmethyl)-1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine?
The IUPAC name of (1S,3aR,7aR)-5-(cyclopropylmethyl)-1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine (CID 97475676) is (1S,3aR,7aR)-5-(cyclopropylmethyl)-1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine.
What is the SMILES notation for (1S,3aR,7aR)-5-(cyclopropylmethyl)-1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine?
The canonical SMILES for (1S,3aR,7aR)-5-(cyclopropylmethyl)-1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine is C1CC1CN1CC[C@@H]2[C@@H](CO[C@H]2Cc2nnc(C3CC3)o2)C1.
What is the InChIKey of (1S,3aR,7aR)-5-(cyclopropylmethyl)-1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine?
The InChIKey is SIHDSFUYMGRMDN-KFWWJZLASA-N. The full InChI is InChI=1S/C17H25N3O2/c1-2-11(1)8-20-6-5-14-13(9-20)10-21-15(14)7-16-18-19-17(22-16)12-3-4-12/h11-15H,1-10H2/t13-,14-,15+/m1/s1.
What are the key properties of (1S,3aR,7aR)-5-(cyclopropylmethyl)-1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine?
(1S,3aR,7aR)-5-(cyclopropylmethyl)-1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine has a molecular weight of 303.41 g/mol, XLogP of 2.24, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3aR,7aR)-5-(cyclopropylmethyl)-1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine is sourced from PubChem (CID 97475676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).