(3R,5S)-9-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-pyridin-2-yloxy-1-oxa-9-azaspiro[4.5]decane

C19H25N3O3 — CID 97419576

IUPAC(3R,5S)-9-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-pyridin-2-yloxy-1-oxa-9-azaspiro[4.5]decane
SMILESCc1noc(C)c1CN1CCC[C@]2(C[C@@H](Oc3ccccn3)CO2)C1
InChIInChI=1S/C19H25N3O3/c1-14-17(15(2)25-21-14)11-22-9-5-7-19(13-22)10-16(12-23-19)24-18-6-3-4-8-20-18/h3-4,6,8,16H,5,7,9-13H2,1-2H3/t16-,19+/m1/s1
InChIKeyBVHCOLONSPYTNS-APWZRJJASA-N
MW343.43 g/mol
LogP2.89
Rot. Bonds4

About (3R,5S)-9-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-pyridin-2-yloxy-1-oxa-9-azaspiro[4.5]decane

(3R,5S)-9-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-pyridin-2-yloxy-1-oxa-9-azaspiro[4.5]decane (PubChem CID 97419576) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is (3R,5S)-9-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-pyridin-2-yloxy-1-oxa-9-azaspiro[4.5]decane.

Molecular Properties

Compound Name(3R,5S)-9-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-pyridin-2-yloxy-1-oxa-9-azaspiro[4.5]decane
PubChem CID97419576
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name(3R,5S)-9-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-pyridin-2-yloxy-1-oxa-9-azaspiro[4.5]decane
SMILESCc1noc(C)c1CN1CCC[C@]2(C[C@@H](Oc3ccccn3)CO2)C1
InChIInChI=1S/C19H25N3O3/c1-14-17(15(2)25-21-14)11-22-9-5-7-19(13-22)10-16(12-23-19)24-18-6-3-4-8-20-18/h3-4,6,8,16H,5,7,9-13H2,1-2H3/t16-,19+/m1/s1
InChIKeyBVHCOLONSPYTNS-APWZRJJASA-N
XLogP2.89
TPSA60.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3R,5S)-9-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-pyridin-2-yloxy-1-oxa-9-azaspiro[4.5]decane?
The IUPAC name of (3R,5S)-9-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-pyridin-2-yloxy-1-oxa-9-azaspiro[4.5]decane (CID 97419576) is (3R,5S)-9-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-pyridin-2-yloxy-1-oxa-9-azaspiro[4.5]decane.
What is the SMILES notation for (3R,5S)-9-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-pyridin-2-yloxy-1-oxa-9-azaspiro[4.5]decane?
The canonical SMILES for (3R,5S)-9-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-pyridin-2-yloxy-1-oxa-9-azaspiro[4.5]decane is Cc1noc(C)c1CN1CCC[C@]2(C[C@@H](Oc3ccccn3)CO2)C1.
What is the InChIKey of (3R,5S)-9-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-pyridin-2-yloxy-1-oxa-9-azaspiro[4.5]decane?
The InChIKey is BVHCOLONSPYTNS-APWZRJJASA-N. The full InChI is InChI=1S/C19H25N3O3/c1-14-17(15(2)25-21-14)11-22-9-5-7-19(13-22)10-16(12-23-19)24-18-6-3-4-8-20-18/h3-4,6,8,16H,5,7,9-13H2,1-2H3/t16-,19+/m1/s1.
What are the key properties of (3R,5S)-9-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-pyridin-2-yloxy-1-oxa-9-azaspiro[4.5]decane?
(3R,5S)-9-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-pyridin-2-yloxy-1-oxa-9-azaspiro[4.5]decane has a molecular weight of 343.43 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-9-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-pyridin-2-yloxy-1-oxa-9-azaspiro[4.5]decane is sourced from PubChem (CID 97419576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).