[(3R)-3-(4-fluoro-N-methylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(1,3-thiazol-5-yl)methanone

C19H22FN3O2S — CID 124991511

About [(3R)-3-(4-fluoro-N-methylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(1,3-thiazol-5-yl)methanone

[(3R)-3-(4-fluoro-N-methylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(1,3-thiazol-5-yl)methanone (PubChem CID 124991511) has the molecular formula C19H22FN3O2S and a molecular weight of 375.47 g/mol. Its IUPAC name is [(3R)-3-(4-fluoro-N-methylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(1,3-thiazol-5-yl)methanone.

Molecular Properties

• Compound Name: [(3R)-3-(4-fluoro-N-methylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(1,3-thiazol-5-yl)methanone
• PubChem CID: 124991511
• Molecular Formula: C19H22FN3O2S
• Molecular Weight: 375.47 g/mol
• Exact Mass: 375.14
• IUPAC Name: [(3R)-3-(4-fluoro-N-methylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(1,3-thiazol-5-yl)methanone
• SMILES: CN(c1ccc(F)cc1)[C@H]1COC2(CCN(C(=O)c3cncs3)CC2)C1
• InChI: InChI=1S/C19H22FN3O2S/c1-22(15-4-2-14(20)3-5-15)16-10-19(25-12-16)6-8-23(9-7-19)18(24)17-11-21-13-26-17/h2-5,11,13,16H,6-10,12H2,1H3/t16-/m1/s1
• InChIKey: PJTYSTGXUBLWHQ-MRXNPFEDSA-N
• XLogP: 3.18
• TPSA: 45.67 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	375.47
LogP ≤ 5	3.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(4-fluoro-N-methylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(1,3-thiazol-5-yl)methanone?

The IUPAC name of [(3R)-3-(4-fluoro-N-methylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(1,3-thiazol-5-yl)methanone (CID 124991511) is [(3R)-3-(4-fluoro-N-methylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(1,3-thiazol-5-yl)methanone.

What is the SMILES notation for [(3R)-3-(4-fluoro-N-methylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(1,3-thiazol-5-yl)methanone?

The canonical SMILES for [(3R)-3-(4-fluoro-N-methylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(1,3-thiazol-5-yl)methanone is CN(c1ccc(F)cc1)[C@H]1COC2(CCN(C(=O)c3cncs3)CC2)C1.

What is the InChIKey of [(3R)-3-(4-fluoro-N-methylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(1,3-thiazol-5-yl)methanone?

The InChIKey is PJTYSTGXUBLWHQ-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H22FN3O2S/c1-22(15-4-2-14(20)3-5-15)16-10-19(25-12-16)6-8-23(9-7-19)18(24)17-11-21-13-26-17/h2-5,11,13,16H,6-10,12H2,1H3/t16-/m1/s1.

What are the key properties of [(3R)-3-(4-fluoro-N-methylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(1,3-thiazol-5-yl)methanone?

[(3R)-3-(4-fluoro-N-methylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(1,3-thiazol-5-yl)methanone has a molecular weight of 375.47 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [(3R)-3-(4-fluoro-N-methylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(1,3-thiazol-5-yl)methanone is sourced from PubChem (CID 124991511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).