(3S,6S,8aS)-3-[3-(8-hydroxy-6-azaspiro[2.5]octan-6-yl)-3-oxopropyl]-6-methyl-2,3,6,7,8,8a-hexahydro-[1,3]oxazolo[3,2-a]pyrazin-5-one

C17H27N3O4 — CID 67093366

IUPAC(3S,6S,8aS)-3-[3-(8-hydroxy-6-azaspiro[2.5]octan-6-yl)-3-oxopropyl]-6-methyl-2,3,6,7,8,8a-hexahydro-[1,3]oxazolo[3,2-a]pyrazin-5-one
SMILESC[C@@H]1NC[C@@H]2OC[C@H](CCC(=O)N3CCC4(CC4)C(O)C3)N2C1=O
InChIInChI=1S/C17H27N3O4/c1-11-16(23)20-12(10-24-15(20)8-18-11)2-3-14(22)19-7-6-17(4-5-17)13(21)9-19/h11-13,15,18,21H,2-10H2,1H3/t11-,12-,13?,15-/m0/s1
InChIKeyKDCSFPRHBRIVPE-VKXBSSMUSA-N
MW337.42 g/mol
LogP-0.31
Rot. Bonds3

About (3S,6S,8aS)-3-[3-(8-hydroxy-6-azaspiro[2.5]octan-6-yl)-3-oxopropyl]-6-methyl-2,3,6,7,8,8a-hexahydro-[1,3]oxazolo[3,2-a]pyrazin-5-one

(3S,6S,8aS)-3-[3-(8-hydroxy-6-azaspiro[2.5]octan-6-yl)-3-oxopropyl]-6-methyl-2,3,6,7,8,8a-hexahydro-[1,3]oxazolo[3,2-a]pyrazin-5-one (PubChem CID 67093366) has the molecular formula C17H27N3O4 and a molecular weight of 337.42 g/mol. Its IUPAC name is (3S,6S,8aS)-3-[3-(8-hydroxy-6-azaspiro[2.5]octan-6-yl)-3-oxopropyl]-6-methyl-2,3,6,7,8,8a-hexahydro-[1,3]oxazolo[3,2-a]pyrazin-5-one.

Molecular Properties

Compound Name(3S,6S,8aS)-3-[3-(8-hydroxy-6-azaspiro[2.5]octan-6-yl)-3-oxopropyl]-6-methyl-2,3,6,7,8,8a-hexahydro-[1,3]oxazolo[3,2-a]pyrazin-5-one
PubChem CID67093366
Molecular FormulaC17H27N3O4
Molecular Weight337.42 g/mol
Exact Mass337.20
IUPAC Name(3S,6S,8aS)-3-[3-(8-hydroxy-6-azaspiro[2.5]octan-6-yl)-3-oxopropyl]-6-methyl-2,3,6,7,8,8a-hexahydro-[1,3]oxazolo[3,2-a]pyrazin-5-one
SMILESC[C@@H]1NC[C@@H]2OC[C@H](CCC(=O)N3CCC4(CC4)C(O)C3)N2C1=O
InChIInChI=1S/C17H27N3O4/c1-11-16(23)20-12(10-24-15(20)8-18-11)2-3-14(22)19-7-6-17(4-5-17)13(21)9-19/h11-13,15,18,21H,2-10H2,1H3/t11-,12-,13?,15-/m0/s1
InChIKeyKDCSFPRHBRIVPE-VKXBSSMUSA-N
XLogP-0.31
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3S,6S,8aS)-3-[3-(8-hydroxy-6-azaspiro[2.5]octan-6-yl)-3-oxopropyl]-6-methyl-2,3,6,7,8,8a-hexahydro-[1,3]oxazolo[3,2-a]pyrazin-5-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3S,6S,8aS)-3-[3-(8-hydroxy-6-azaspiro[2.5]octan-6-yl)-3-oxopropyl]-6-methyl-2,3,6,7,8,8a-hexahydro-[1,3]oxazolo[3,2-a]pyrazin-5-one?
The IUPAC name of (3S,6S,8aS)-3-[3-(8-hydroxy-6-azaspiro[2.5]octan-6-yl)-3-oxopropyl]-6-methyl-2,3,6,7,8,8a-hexahydro-[1,3]oxazolo[3,2-a]pyrazin-5-one (CID 67093366) is (3S,6S,8aS)-3-[3-(8-hydroxy-6-azaspiro[2.5]octan-6-yl)-3-oxopropyl]-6-methyl-2,3,6,7,8,8a-hexahydro-[1,3]oxazolo[3,2-a]pyrazin-5-one.
What is the SMILES notation for (3S,6S,8aS)-3-[3-(8-hydroxy-6-azaspiro[2.5]octan-6-yl)-3-oxopropyl]-6-methyl-2,3,6,7,8,8a-hexahydro-[1,3]oxazolo[3,2-a]pyrazin-5-one?
The canonical SMILES for (3S,6S,8aS)-3-[3-(8-hydroxy-6-azaspiro[2.5]octan-6-yl)-3-oxopropyl]-6-methyl-2,3,6,7,8,8a-hexahydro-[1,3]oxazolo[3,2-a]pyrazin-5-one is C[C@@H]1NC[C@@H]2OC[C@H](CCC(=O)N3CCC4(CC4)C(O)C3)N2C1=O.
What is the InChIKey of (3S,6S,8aS)-3-[3-(8-hydroxy-6-azaspiro[2.5]octan-6-yl)-3-oxopropyl]-6-methyl-2,3,6,7,8,8a-hexahydro-[1,3]oxazolo[3,2-a]pyrazin-5-one?
The InChIKey is KDCSFPRHBRIVPE-VKXBSSMUSA-N. The full InChI is InChI=1S/C17H27N3O4/c1-11-16(23)20-12(10-24-15(20)8-18-11)2-3-14(22)19-7-6-17(4-5-17)13(21)9-19/h11-13,15,18,21H,2-10H2,1H3/t11-,12-,13?,15-/m0/s1.
What are the key properties of (3S,6S,8aS)-3-[3-(8-hydroxy-6-azaspiro[2.5]octan-6-yl)-3-oxopropyl]-6-methyl-2,3,6,7,8,8a-hexahydro-[1,3]oxazolo[3,2-a]pyrazin-5-one?
(3S,6S,8aS)-3-[3-(8-hydroxy-6-azaspiro[2.5]octan-6-yl)-3-oxopropyl]-6-methyl-2,3,6,7,8,8a-hexahydro-[1,3]oxazolo[3,2-a]pyrazin-5-one has a molecular weight of 337.42 g/mol, XLogP of -0.31, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6S,8aS)-3-[3-(8-hydroxy-6-azaspiro[2.5]octan-6-yl)-3-oxopropyl]-6-methyl-2,3,6,7,8,8a-hexahydro-[1,3]oxazolo[3,2-a]pyrazin-5-one is sourced from PubChem (CID 67093366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).