[(3aS,7aR)-2-[(2-fluoro-7-azaspiro[3.5]nonan-7-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-[2-(dimethylamino)-1,3-oxazol-5-yl]methanone

C22H33FN4O3 — CID 155880301

IUPAC[(3aS,7aR)-2-[(2-fluoro-7-azaspiro[3.5]nonan-7-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-[2-(dimethylamino)-1,3-oxazol-5-yl]methanone
SMILESCN(C)c1ncc(C(=O)N2CC[C@H]3CC(CN4CCC5(CC4)CC(F)C5)O[C@H]3C2)o1
InChIInChI=1S/C22H33FN4O3/c1-25(2)21-24-12-18(30-21)20(28)27-6-3-15-9-17(29-19(15)14-27)13-26-7-4-22(5-8-26)10-16(23)11-22/h12,15-17,19H,3-11,13-14H2,1-2H3/t15-,17?,19-/m0/s1
InChIKeyJPSHHFAYHHCQJK-ZRHIXDKOSA-N
MW420.53 g/mol
LogP2.57
Rot. Bonds4

About [(3aS,7aR)-2-[(2-fluoro-7-azaspiro[3.5]nonan-7-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-[2-(dimethylamino)-1,3-oxazol-5-yl]methanone

[(3aS,7aR)-2-[(2-fluoro-7-azaspiro[3.5]nonan-7-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-[2-(dimethylamino)-1,3-oxazol-5-yl]methanone (PubChem CID 155880301) has the molecular formula C22H33FN4O3 and a molecular weight of 420.53 g/mol. Its IUPAC name is [(3aS,7aR)-2-[(2-fluoro-7-azaspiro[3.5]nonan-7-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-[2-(dimethylamino)-1,3-oxazol-5-yl]methanone.

Molecular Properties

Compound Name[(3aS,7aR)-2-[(2-fluoro-7-azaspiro[3.5]nonan-7-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-[2-(dimethylamino)-1,3-oxazol-5-yl]methanone
PubChem CID155880301
Molecular FormulaC22H33FN4O3
Molecular Weight420.53 g/mol
Exact Mass420.25
IUPAC Name[(3aS,7aR)-2-[(2-fluoro-7-azaspiro[3.5]nonan-7-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-[2-(dimethylamino)-1,3-oxazol-5-yl]methanone
SMILESCN(C)c1ncc(C(=O)N2CC[C@H]3CC(CN4CCC5(CC4)CC(F)C5)O[C@H]3C2)o1
InChIInChI=1S/C22H33FN4O3/c1-25(2)21-24-12-18(30-21)20(28)27-6-3-15-9-17(29-19(15)14-27)13-26-7-4-22(5-8-26)10-16(23)11-22/h12,15-17,19H,3-11,13-14H2,1-2H3/t15-,17?,19-/m0/s1
InChIKeyJPSHHFAYHHCQJK-ZRHIXDKOSA-N
XLogP2.57
TPSA62.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.53
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(3aS,7aR)-2-[(2-fluoro-7-azaspiro[3.5]nonan-7-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-[2-(dimethylamino)-1,3-oxazol-5-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(3aS,7aR)-2-[(2-fluoro-7-azaspiro[3.5]nonan-7-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-[2-(dimethylamino)-1,3-oxazol-5-yl]methanone?
The IUPAC name of [(3aS,7aR)-2-[(2-fluoro-7-azaspiro[3.5]nonan-7-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-[2-(dimethylamino)-1,3-oxazol-5-yl]methanone (CID 155880301) is [(3aS,7aR)-2-[(2-fluoro-7-azaspiro[3.5]nonan-7-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-[2-(dimethylamino)-1,3-oxazol-5-yl]methanone.
What is the SMILES notation for [(3aS,7aR)-2-[(2-fluoro-7-azaspiro[3.5]nonan-7-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-[2-(dimethylamino)-1,3-oxazol-5-yl]methanone?
The canonical SMILES for [(3aS,7aR)-2-[(2-fluoro-7-azaspiro[3.5]nonan-7-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-[2-(dimethylamino)-1,3-oxazol-5-yl]methanone is CN(C)c1ncc(C(=O)N2CC[C@H]3CC(CN4CCC5(CC4)CC(F)C5)O[C@H]3C2)o1.
What is the InChIKey of [(3aS,7aR)-2-[(2-fluoro-7-azaspiro[3.5]nonan-7-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-[2-(dimethylamino)-1,3-oxazol-5-yl]methanone?
The InChIKey is JPSHHFAYHHCQJK-ZRHIXDKOSA-N. The full InChI is InChI=1S/C22H33FN4O3/c1-25(2)21-24-12-18(30-21)20(28)27-6-3-15-9-17(29-19(15)14-27)13-26-7-4-22(5-8-26)10-16(23)11-22/h12,15-17,19H,3-11,13-14H2,1-2H3/t15-,17?,19-/m0/s1.
What are the key properties of [(3aS,7aR)-2-[(2-fluoro-7-azaspiro[3.5]nonan-7-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-[2-(dimethylamino)-1,3-oxazol-5-yl]methanone?
[(3aS,7aR)-2-[(2-fluoro-7-azaspiro[3.5]nonan-7-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-[2-(dimethylamino)-1,3-oxazol-5-yl]methanone has a molecular weight of 420.53 g/mol, XLogP of 2.57, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aS,7aR)-2-[(2-fluoro-7-azaspiro[3.5]nonan-7-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-[2-(dimethylamino)-1,3-oxazol-5-yl]methanone is sourced from PubChem (CID 155880301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).