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

C22H25NO4S — CID 12941371

IUPAC8-morpholin-4-yl-6-[(4-thiophen-2-ylphenyl)methoxy]-2-oxabicyclo[3.2.1]octan-3-one
SMILESO=C1CC2C(OCc3ccc(-c4cccs4)cc3)CC(O1)C2N1CCOCC1
InChIInChI=1S/C22H25NO4S/c24-21-12-17-18(13-19(27-21)22(17)23-7-9-25-10-8-23)26-14-15-3-5-16(6-4-15)20-2-1-11-28-20/h1-6,11,17-19,22H,7-10,12-14H2
InChIKeyNKWDNWGBCBNUGY-UHFFFAOYSA-N
MW399.51 g/mol
LogP3.34
Rot. Bonds5

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

8-morpholin-4-yl-6-[(4-thiophen-2-ylphenyl)methoxy]-2-oxabicyclo[3.2.1]octan-3-one (PubChem CID 12941371) has the molecular formula C22H25NO4S and a molecular weight of 399.51 g/mol. Its IUPAC name is 8-morpholin-4-yl-6-[(4-thiophen-2-ylphenyl)methoxy]-2-oxabicyclo[3.2.1]octan-3-one.

Molecular Properties

Compound Name8-morpholin-4-yl-6-[(4-thiophen-2-ylphenyl)methoxy]-2-oxabicyclo[3.2.1]octan-3-one
PubChem CID12941371
Molecular FormulaC22H25NO4S
Molecular Weight399.51 g/mol
Exact Mass399.15
IUPAC Name8-morpholin-4-yl-6-[(4-thiophen-2-ylphenyl)methoxy]-2-oxabicyclo[3.2.1]octan-3-one
SMILESO=C1CC2C(OCc3ccc(-c4cccs4)cc3)CC(O1)C2N1CCOCC1
InChIInChI=1S/C22H25NO4S/c24-21-12-17-18(13-19(27-21)22(17)23-7-9-25-10-8-23)26-14-15-3-5-16(6-4-15)20-2-1-11-28-20/h1-6,11,17-19,22H,7-10,12-14H2
InChIKeyNKWDNWGBCBNUGY-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-[(4-thiophen-2-ylphenyl)methoxy]-2-oxabicyclo[3.2.1]octan-3-one with MolForge

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Launch Full Analysis

Related Compounds

8-Morpholin-4-yl-6-[(4-phenylphenyl)methoxy]-2-oxabicyclo[3.2.1]octan-3-one
CID 12786301
6-[(4-Phenylphenyl)methoxy]-8-piperidin-1-yl-2-oxabicyclo[3.2.1]octan-3-one
CID 12786307
8-Morpholin-4-yl-6-[(5-phenylthiophen-2-yl)methoxy]-2-oxabicyclo[3.2.1]octan-3-one
CID 12941363
6-[(5-Cyclohexylthiophen-2-yl)methoxy]-8-morpholin-4-yl-2-oxabicyclo[3.2.1]octan-3-one
CID 12941367
(E)-7-[3-hydroxy-2-morpholin-4-yl-5-[(4-phenylthiophen-2-yl)methoxy]cyclopentyl]hept-5-enoic acid
CID 12941395
(Z)-7-[(1R,2R,5S)-2-morpholin-4-yl-3-oxo-5-[(4-thiophen-2-ylphenyl)methoxy]cyclopentyl]hept-5-enoic acid
CID 12941400
3-[(1S,2R,5R)-2-piperidin-1-yl-5-[(4-thiophen-2-ylphenyl)methoxy]cyclopentyl]propanal
CID 18604585
(E)-7-[5-[(4-benzylthiophen-2-yl)methoxy]-3-hydroxy-2-morpholin-4-ylcyclopentyl]hept-5-enoic acid
CID 20466498
6-Phenylmethoxy-8-thiomorpholin-4-yl-2-oxabicyclo[3.2.1]octan-3-one
CID 20466539
8-Morpholin-4-yl-1-[(4-thiophen-2-ylphenyl)methoxy]-2-oxabicyclo[3.2.1]octan-3-one
CID 20510356
(E)-7-[3-hydroxy-2-morpholin-4-yl-5-[(5-phenylthiophen-3-yl)methoxy]cyclopentyl]hept-5-enoic acid
CID 20510359
3-[(1S,2S,3S,5R)-3-hydroxy-2-morpholin-4-yl-5-[(5-phenylthiophen-3-yl)methoxy]cyclopentyl]propanal
CID 22819980

Frequently Asked Questions

What is the IUPAC name of 8-morpholin-4-yl-6-[(4-thiophen-2-ylphenyl)methoxy]-2-oxabicyclo[3.2.1]octan-3-one?
The IUPAC name of 8-morpholin-4-yl-6-[(4-thiophen-2-ylphenyl)methoxy]-2-oxabicyclo[3.2.1]octan-3-one (CID 12941371) is 8-morpholin-4-yl-6-[(4-thiophen-2-ylphenyl)methoxy]-2-oxabicyclo[3.2.1]octan-3-one.
What is the SMILES notation for 8-morpholin-4-yl-6-[(4-thiophen-2-ylphenyl)methoxy]-2-oxabicyclo[3.2.1]octan-3-one?
The canonical SMILES for 8-morpholin-4-yl-6-[(4-thiophen-2-ylphenyl)methoxy]-2-oxabicyclo[3.2.1]octan-3-one is O=C1CC2C(OCc3ccc(-c4cccs4)cc3)CC(O1)C2N1CCOCC1.
What is the InChIKey of 8-morpholin-4-yl-6-[(4-thiophen-2-ylphenyl)methoxy]-2-oxabicyclo[3.2.1]octan-3-one?
The InChIKey is NKWDNWGBCBNUGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO4S/c24-21-12-17-18(13-19(27-21)22(17)23-7-9-25-10-8-23)26-14-15-3-5-16(6-4-15)20-2-1-11-28-20/h1-6,11,17-19,22H,7-10,12-14H2.
What are the key properties of 8-morpholin-4-yl-6-[(4-thiophen-2-ylphenyl)methoxy]-2-oxabicyclo[3.2.1]octan-3-one?
8-morpholin-4-yl-6-[(4-thiophen-2-ylphenyl)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-[(4-thiophen-2-ylphenyl)methoxy]-2-oxabicyclo[3.2.1]octan-3-one is sourced from PubChem (CID 12941371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).