(3S,4S)-4-methyl-9-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-1-oxa-9-azaspiro[5.5]undecane-3,4-diol

C18H24N4O4 — CID 164688984

IUPAC(3S,4S)-4-methyl-9-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-1-oxa-9-azaspiro[5.5]undecane-3,4-diol
SMILESCc1noc(-c2ccnc(N3CCC4(CC3)C[C@](C)(O)[C@@H](O)CO4)c2)n1
InChIInChI=1S/C18H24N4O4/c1-12-20-16(26-21-12)13-3-6-19-15(9-13)22-7-4-18(5-8-22)11-17(2,24)14(23)10-25-18/h3,6,9,14,23-24H,4-5,7-8,10-11H2,1-2H3/t14-,17-/m0/s1
InChIKeyRNHABZVKUCCQOD-YOEHRIQHSA-N
MW360.41 g/mol
LogP1.31
Rot. Bonds2

About (3S,4S)-4-methyl-9-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-1-oxa-9-azaspiro[5.5]undecane-3,4-diol

(3S,4S)-4-methyl-9-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-1-oxa-9-azaspiro[5.5]undecane-3,4-diol (PubChem CID 164688984) has the molecular formula C18H24N4O4 and a molecular weight of 360.41 g/mol. Its IUPAC name is (3S,4S)-4-methyl-9-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-1-oxa-9-azaspiro[5.5]undecane-3,4-diol.

Molecular Properties

Compound Name(3S,4S)-4-methyl-9-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-1-oxa-9-azaspiro[5.5]undecane-3,4-diol
PubChem CID164688984
Molecular FormulaC18H24N4O4
Molecular Weight360.41 g/mol
Exact Mass360.18
IUPAC Name(3S,4S)-4-methyl-9-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-1-oxa-9-azaspiro[5.5]undecane-3,4-diol
SMILESCc1noc(-c2ccnc(N3CCC4(CC3)C[C@](C)(O)[C@@H](O)CO4)c2)n1
InChIInChI=1S/C18H24N4O4/c1-12-20-16(26-21-12)13-3-6-19-15(9-13)22-7-4-18(5-8-22)11-17(2,24)14(23)10-25-18/h3,6,9,14,23-24H,4-5,7-8,10-11H2,1-2H3/t14-,17-/m0/s1
InChIKeyRNHABZVKUCCQOD-YOEHRIQHSA-N
XLogP1.31
TPSA104.74 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze (3S,4S)-4-methyl-9-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-1-oxa-9-azaspiro[5.5]undecane-3,4-diol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-methyl-9-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-1-oxa-9-azaspiro[5.5]undecane-3,4-diol?
The IUPAC name of (3S,4S)-4-methyl-9-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-1-oxa-9-azaspiro[5.5]undecane-3,4-diol (CID 164688984) is (3S,4S)-4-methyl-9-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-1-oxa-9-azaspiro[5.5]undecane-3,4-diol.
What is the SMILES notation for (3S,4S)-4-methyl-9-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-1-oxa-9-azaspiro[5.5]undecane-3,4-diol?
The canonical SMILES for (3S,4S)-4-methyl-9-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-1-oxa-9-azaspiro[5.5]undecane-3,4-diol is Cc1noc(-c2ccnc(N3CCC4(CC3)C[C@](C)(O)[C@@H](O)CO4)c2)n1.
What is the InChIKey of (3S,4S)-4-methyl-9-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-1-oxa-9-azaspiro[5.5]undecane-3,4-diol?
The InChIKey is RNHABZVKUCCQOD-YOEHRIQHSA-N. The full InChI is InChI=1S/C18H24N4O4/c1-12-20-16(26-21-12)13-3-6-19-15(9-13)22-7-4-18(5-8-22)11-17(2,24)14(23)10-25-18/h3,6,9,14,23-24H,4-5,7-8,10-11H2,1-2H3/t14-,17-/m0/s1.
What are the key properties of (3S,4S)-4-methyl-9-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-1-oxa-9-azaspiro[5.5]undecane-3,4-diol?
(3S,4S)-4-methyl-9-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-1-oxa-9-azaspiro[5.5]undecane-3,4-diol has a molecular weight of 360.41 g/mol, XLogP of 1.31, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-methyl-9-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-1-oxa-9-azaspiro[5.5]undecane-3,4-diol is sourced from PubChem (CID 164688984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).