8-morpholin-4-yl-6-[(5-phenylthiophen-2-yl)methoxy]-2-oxabicyclo[3.2.1]octan-3-one

C22H25NO4S — CID 12941363

IUPAC8-morpholin-4-yl-6-[(5-phenylthiophen-2-yl)methoxy]-2-oxabicyclo[3.2.1]octan-3-one
SMILESO=C1CC2C(OCc3ccc(-c4ccccc4)s3)CC(O1)C2N1CCOCC1
InChIInChI=1S/C22H25NO4S/c24-21-12-17-18(13-19(27-21)22(17)23-8-10-25-11-9-23)26-14-16-6-7-20(28-16)15-4-2-1-3-5-15/h1-7,17-19,22H,8-14H2
InChIKeyXAJJHSCQTDMHKP-UHFFFAOYSA-N
MW399.51 g/mol
LogP3.34
Rot. Bonds5

About 8-morpholin-4-yl-6-[(5-phenylthiophen-2-yl)methoxy]-2-oxabicyclo[3.2.1]octan-3-one

8-morpholin-4-yl-6-[(5-phenylthiophen-2-yl)methoxy]-2-oxabicyclo[3.2.1]octan-3-one (PubChem CID 12941363) has the molecular formula C22H25NO4S and a molecular weight of 399.51 g/mol. Its IUPAC name is 8-morpholin-4-yl-6-[(5-phenylthiophen-2-yl)methoxy]-2-oxabicyclo[3.2.1]octan-3-one.

Molecular Properties

Compound Name8-morpholin-4-yl-6-[(5-phenylthiophen-2-yl)methoxy]-2-oxabicyclo[3.2.1]octan-3-one
PubChem CID12941363
Molecular FormulaC22H25NO4S
Molecular Weight399.51 g/mol
Exact Mass399.15
IUPAC Name8-morpholin-4-yl-6-[(5-phenylthiophen-2-yl)methoxy]-2-oxabicyclo[3.2.1]octan-3-one
SMILESO=C1CC2C(OCc3ccc(-c4ccccc4)s3)CC(O1)C2N1CCOCC1
InChIInChI=1S/C22H25NO4S/c24-21-12-17-18(13-19(27-21)22(17)23-8-10-25-11-9-23)26-14-16-6-7-20(28-16)15-4-2-1-3-5-15/h1-7,17-19,22H,8-14H2
InChIKeyXAJJHSCQTDMHKP-UHFFFAOYSA-N
XLogP3.34
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.51
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 8-morpholin-4-yl-6-[(5-phenylthiophen-2-yl)methoxy]-2-oxabicyclo[3.2.1]octan-3-one 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 8-morpholin-4-yl-6-[(5-phenylthiophen-2-yl)methoxy]-2-oxabicyclo[3.2.1]octan-3-one?
The IUPAC name of 8-morpholin-4-yl-6-[(5-phenylthiophen-2-yl)methoxy]-2-oxabicyclo[3.2.1]octan-3-one (CID 12941363) is 8-morpholin-4-yl-6-[(5-phenylthiophen-2-yl)methoxy]-2-oxabicyclo[3.2.1]octan-3-one.
What is the SMILES notation for 8-morpholin-4-yl-6-[(5-phenylthiophen-2-yl)methoxy]-2-oxabicyclo[3.2.1]octan-3-one?
The canonical SMILES for 8-morpholin-4-yl-6-[(5-phenylthiophen-2-yl)methoxy]-2-oxabicyclo[3.2.1]octan-3-one is O=C1CC2C(OCc3ccc(-c4ccccc4)s3)CC(O1)C2N1CCOCC1.
What is the InChIKey of 8-morpholin-4-yl-6-[(5-phenylthiophen-2-yl)methoxy]-2-oxabicyclo[3.2.1]octan-3-one?
The InChIKey is XAJJHSCQTDMHKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO4S/c24-21-12-17-18(13-19(27-21)22(17)23-8-10-25-11-9-23)26-14-16-6-7-20(28-16)15-4-2-1-3-5-15/h1-7,17-19,22H,8-14H2.
What are the key properties of 8-morpholin-4-yl-6-[(5-phenylthiophen-2-yl)methoxy]-2-oxabicyclo[3.2.1]octan-3-one?
8-morpholin-4-yl-6-[(5-phenylthiophen-2-yl)methoxy]-2-oxabicyclo[3.2.1]octan-3-one has a molecular weight of 399.51 g/mol, XLogP of 3.34, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-morpholin-4-yl-6-[(5-phenylthiophen-2-yl)methoxy]-2-oxabicyclo[3.2.1]octan-3-one is sourced from PubChem (CID 12941363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).