(4-methyl-1,3-oxazol-5-yl)-[(4R)-4-(2-pyridin-2-yloxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone

C20H25N3O4 — CID 124810784

IUPAC(4-methyl-1,3-oxazol-5-yl)-[(4R)-4-(2-pyridin-2-yloxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
SMILESCc1ncoc1C(=O)N1CCC2(CC1)OCC[C@@H]2CCOc1ccccn1
InChIInChI=1S/C20H25N3O4/c1-15-18(26-14-22-15)19(24)23-10-7-20(8-11-23)16(6-13-27-20)5-12-25-17-4-2-3-9-21-17/h2-4,9,14,16H,5-8,10-13H2,1H3/t16-/m0/s1
InChIKeyPSCGGCXKTMCIKE-INIZCTEOSA-N
MW371.44 g/mol
LogP2.86
Rot. Bonds5

About (4-methyl-1,3-oxazol-5-yl)-[(4R)-4-(2-pyridin-2-yloxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone

(4-methyl-1,3-oxazol-5-yl)-[(4R)-4-(2-pyridin-2-yloxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone (PubChem CID 124810784) has the molecular formula C20H25N3O4 and a molecular weight of 371.44 g/mol. Its IUPAC name is (4-methyl-1,3-oxazol-5-yl)-[(4R)-4-(2-pyridin-2-yloxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone.

Molecular Properties

Compound Name(4-methyl-1,3-oxazol-5-yl)-[(4R)-4-(2-pyridin-2-yloxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
PubChem CID124810784
Molecular FormulaC20H25N3O4
Molecular Weight371.44 g/mol
Exact Mass371.18
IUPAC Name(4-methyl-1,3-oxazol-5-yl)-[(4R)-4-(2-pyridin-2-yloxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
SMILESCc1ncoc1C(=O)N1CCC2(CC1)OCC[C@@H]2CCOc1ccccn1
InChIInChI=1S/C20H25N3O4/c1-15-18(26-14-22-15)19(24)23-10-7-20(8-11-23)16(6-13-27-20)5-12-25-17-4-2-3-9-21-17/h2-4,9,14,16H,5-8,10-13H2,1H3/t16-/m0/s1
InChIKeyPSCGGCXKTMCIKE-INIZCTEOSA-N
XLogP2.86
TPSA77.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4-methyl-1,3-oxazol-5-yl)-[(4R)-4-(2-pyridin-2-yloxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone?
The IUPAC name of (4-methyl-1,3-oxazol-5-yl)-[(4R)-4-(2-pyridin-2-yloxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone (CID 124810784) is (4-methyl-1,3-oxazol-5-yl)-[(4R)-4-(2-pyridin-2-yloxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone.
What is the SMILES notation for (4-methyl-1,3-oxazol-5-yl)-[(4R)-4-(2-pyridin-2-yloxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone?
The canonical SMILES for (4-methyl-1,3-oxazol-5-yl)-[(4R)-4-(2-pyridin-2-yloxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone is Cc1ncoc1C(=O)N1CCC2(CC1)OCC[C@@H]2CCOc1ccccn1.
What is the InChIKey of (4-methyl-1,3-oxazol-5-yl)-[(4R)-4-(2-pyridin-2-yloxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone?
The InChIKey is PSCGGCXKTMCIKE-INIZCTEOSA-N. The full InChI is InChI=1S/C20H25N3O4/c1-15-18(26-14-22-15)19(24)23-10-7-20(8-11-23)16(6-13-27-20)5-12-25-17-4-2-3-9-21-17/h2-4,9,14,16H,5-8,10-13H2,1H3/t16-/m0/s1.
What are the key properties of (4-methyl-1,3-oxazol-5-yl)-[(4R)-4-(2-pyridin-2-yloxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone?
(4-methyl-1,3-oxazol-5-yl)-[(4R)-4-(2-pyridin-2-yloxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone has a molecular weight of 371.44 g/mol, XLogP of 2.86, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-1,3-oxazol-5-yl)-[(4R)-4-(2-pyridin-2-yloxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone is sourced from PubChem (CID 124810784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).