(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[(5R)-5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone

C19H25N3O4 — CID 97198788

IUPAC(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[(5R)-5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
SMILESCO[C@@H]1CCCOC12CCN(C(=O)c1cc(C)nc3onc(C)c13)CC2
InChIInChI=1S/C19H25N3O4/c1-12-11-14(16-13(2)21-26-17(16)20-12)18(23)22-8-6-19(7-9-22)15(24-3)5-4-10-25-19/h11,15H,4-10H2,1-3H3/t15-/m1/s1
InChIKeyIADHNBSVYGQUPG-OAHLLOKOSA-N
MW359.43 g/mol
LogP2.64
Rot. Bonds2

About (3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[(5R)-5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone

(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[(5R)-5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone (PubChem CID 97198788) has the molecular formula C19H25N3O4 and a molecular weight of 359.43 g/mol. Its IUPAC name is (3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[(5R)-5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone.

Molecular Properties

Compound Name(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[(5R)-5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
PubChem CID97198788
Molecular FormulaC19H25N3O4
Molecular Weight359.43 g/mol
Exact Mass359.18
IUPAC Name(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[(5R)-5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
SMILESCO[C@@H]1CCCOC12CCN(C(=O)c1cc(C)nc3onc(C)c13)CC2
InChIInChI=1S/C19H25N3O4/c1-12-11-14(16-13(2)21-26-17(16)20-12)18(23)22-8-6-19(7-9-22)15(24-3)5-4-10-25-19/h11,15H,4-10H2,1-3H3/t15-/m1/s1
InChIKeyIADHNBSVYGQUPG-OAHLLOKOSA-N
XLogP2.64
TPSA77.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[(5R)-5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone with MolForge

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Related Compounds

(2,4-dimethylpyrimidin-5-yl)-[(5S)-5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
CID 124965745
(5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(4-methylpyrimidin-5-yl)methanone
CID 74240903
[(5S)-5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone
CID 97454136
6-(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119135858
N-[(4S,5S)-1-(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)-5-hydroxyazepan-4-yl]acetamide
CID 110126922
(1-ethyl-5-methylpyrazol-4-yl)-(5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone
CID 74239484
ethyl 4-(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)piperazine-1-carboxylate
CID 36860748
[(5R)-5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(1-methylimidazol-4-yl)methanone
CID 124969063
1-(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)-3-fluoropyrrolidine-3-carboxylic acid
CID 119258854
1-[4-(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)piperazin-1-yl]-2-methylpropan-1-one
CID 18160027
[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone
CID 51853281
(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[2-(1-hydroxycyclopropyl)pyrrolidin-1-yl]methanone
CID 138378341

Frequently Asked Questions

What is the IUPAC name of (3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[(5R)-5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone?
The IUPAC name of (3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[(5R)-5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone (CID 97198788) is (3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[(5R)-5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone.
What is the SMILES notation for (3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[(5R)-5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone?
The canonical SMILES for (3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[(5R)-5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone is CO[C@@H]1CCCOC12CCN(C(=O)c1cc(C)nc3onc(C)c13)CC2.
What is the InChIKey of (3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[(5R)-5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone?
The InChIKey is IADHNBSVYGQUPG-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H25N3O4/c1-12-11-14(16-13(2)21-26-17(16)20-12)18(23)22-8-6-19(7-9-22)15(24-3)5-4-10-25-19/h11,15H,4-10H2,1-3H3/t15-/m1/s1.
What are the key properties of (3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[(5R)-5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone?
(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[(5R)-5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone has a molecular weight of 359.43 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[(5R)-5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone is sourced from PubChem (CID 97198788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).