[(3S,3aR,7aR)-3-(morpholin-4-ylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl]-(5-methyl-1,2-oxazol-4-yl)methanone

C17H25N3O4 — CID 155901108

IUPAC[(3S,3aR,7aR)-3-(morpholin-4-ylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl]-(5-methyl-1,2-oxazol-4-yl)methanone
SMILESCc1oncc1C(=O)N1CC[C@H]2CO[C@H](CN3CCOCC3)[C@H]2C1
InChIInChI=1S/C17H25N3O4/c1-12-14(8-18-24-12)17(21)20-3-2-13-11-23-16(15(13)9-20)10-19-4-6-22-7-5-19/h8,13,15-16H,2-7,9-11H2,1H3/t13-,15-,16+/m0/s1
InChIKeyLRULGRUMQWXNKH-CWRNSKLLSA-N
MW335.40 g/mol
LogP0.79
Rot. Bonds3

About [(3S,3aR,7aR)-3-(morpholin-4-ylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl]-(5-methyl-1,2-oxazol-4-yl)methanone

[(3S,3aR,7aR)-3-(morpholin-4-ylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl]-(5-methyl-1,2-oxazol-4-yl)methanone (PubChem CID 155901108) has the molecular formula C17H25N3O4 and a molecular weight of 335.40 g/mol. Its IUPAC name is [(3S,3aR,7aR)-3-(morpholin-4-ylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl]-(5-methyl-1,2-oxazol-4-yl)methanone.

Molecular Properties

Compound Name[(3S,3aR,7aR)-3-(morpholin-4-ylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl]-(5-methyl-1,2-oxazol-4-yl)methanone
PubChem CID155901108
Molecular FormulaC17H25N3O4
Molecular Weight335.40 g/mol
Exact Mass335.18
IUPAC Name[(3S,3aR,7aR)-3-(morpholin-4-ylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl]-(5-methyl-1,2-oxazol-4-yl)methanone
SMILESCc1oncc1C(=O)N1CC[C@H]2CO[C@H](CN3CCOCC3)[C@H]2C1
InChIInChI=1S/C17H25N3O4/c1-12-14(8-18-24-12)17(21)20-3-2-13-11-23-16(15(13)9-20)10-19-4-6-22-7-5-19/h8,13,15-16H,2-7,9-11H2,1H3/t13-,15-,16+/m0/s1
InChIKeyLRULGRUMQWXNKH-CWRNSKLLSA-N
XLogP0.79
TPSA68.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(3S,3aR,7aR)-3-(morpholin-4-ylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl]-(5-methyl-1,2-oxazol-4-yl)methanone 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 [(3S,3aR,7aR)-3-(morpholin-4-ylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl]-(5-methyl-1,2-oxazol-4-yl)methanone?
The IUPAC name of [(3S,3aR,7aR)-3-(morpholin-4-ylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl]-(5-methyl-1,2-oxazol-4-yl)methanone (CID 155901108) is [(3S,3aR,7aR)-3-(morpholin-4-ylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl]-(5-methyl-1,2-oxazol-4-yl)methanone.
What is the SMILES notation for [(3S,3aR,7aR)-3-(morpholin-4-ylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl]-(5-methyl-1,2-oxazol-4-yl)methanone?
The canonical SMILES for [(3S,3aR,7aR)-3-(morpholin-4-ylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl]-(5-methyl-1,2-oxazol-4-yl)methanone is Cc1oncc1C(=O)N1CC[C@H]2CO[C@H](CN3CCOCC3)[C@H]2C1.
What is the InChIKey of [(3S,3aR,7aR)-3-(morpholin-4-ylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl]-(5-methyl-1,2-oxazol-4-yl)methanone?
The InChIKey is LRULGRUMQWXNKH-CWRNSKLLSA-N. The full InChI is InChI=1S/C17H25N3O4/c1-12-14(8-18-24-12)17(21)20-3-2-13-11-23-16(15(13)9-20)10-19-4-6-22-7-5-19/h8,13,15-16H,2-7,9-11H2,1H3/t13-,15-,16+/m0/s1.
What are the key properties of [(3S,3aR,7aR)-3-(morpholin-4-ylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl]-(5-methyl-1,2-oxazol-4-yl)methanone?
[(3S,3aR,7aR)-3-(morpholin-4-ylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl]-(5-methyl-1,2-oxazol-4-yl)methanone has a molecular weight of 335.40 g/mol, XLogP of 0.79, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,3aR,7aR)-3-(morpholin-4-ylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl]-(5-methyl-1,2-oxazol-4-yl)methanone is sourced from PubChem (CID 155901108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).