1,2-oxazol-5-yl-[(4R,5S)-4-(pyridin-4-ylmethoxymethyl)-6-oxa-9-azaspiro[4.5]decan-9-yl]methanone

C19H23N3O4 — CID 97452493

IUPAC1,2-oxazol-5-yl-[(4R,5S)-4-(pyridin-4-ylmethoxymethyl)-6-oxa-9-azaspiro[4.5]decan-9-yl]methanone
SMILESO=C(c1ccno1)N1CCO[C@]2(CCC[C@@H]2COCc2ccncc2)C1
InChIInChI=1S/C19H23N3O4/c23-18(17-5-9-21-26-17)22-10-11-25-19(14-22)6-1-2-16(19)13-24-12-15-3-7-20-8-4-15/h3-5,7-9,16H,1-2,6,10-14H2/t16-,19-/m1/s1
InChIKeyUCNLOEGHCJEWDN-VQIMIIECSA-N
MW357.41 g/mol
LogP2.30
Rot. Bonds5

About 1,2-oxazol-5-yl-[(4R,5S)-4-(pyridin-4-ylmethoxymethyl)-6-oxa-9-azaspiro[4.5]decan-9-yl]methanone

1,2-oxazol-5-yl-[(4R,5S)-4-(pyridin-4-ylmethoxymethyl)-6-oxa-9-azaspiro[4.5]decan-9-yl]methanone (PubChem CID 97452493) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is 1,2-oxazol-5-yl-[(4R,5S)-4-(pyridin-4-ylmethoxymethyl)-6-oxa-9-azaspiro[4.5]decan-9-yl]methanone.

Molecular Properties

Compound Name1,2-oxazol-5-yl-[(4R,5S)-4-(pyridin-4-ylmethoxymethyl)-6-oxa-9-azaspiro[4.5]decan-9-yl]methanone
PubChem CID97452493
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC Name1,2-oxazol-5-yl-[(4R,5S)-4-(pyridin-4-ylmethoxymethyl)-6-oxa-9-azaspiro[4.5]decan-9-yl]methanone
SMILESO=C(c1ccno1)N1CCO[C@]2(CCC[C@@H]2COCc2ccncc2)C1
InChIInChI=1S/C19H23N3O4/c23-18(17-5-9-21-26-17)22-10-11-25-19(14-22)6-1-2-16(19)13-24-12-15-3-7-20-8-4-15/h3-5,7-9,16H,1-2,6,10-14H2/t16-,19-/m1/s1
InChIKeyUCNLOEGHCJEWDN-VQIMIIECSA-N
XLogP2.30
TPSA77.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1,2-oxazol-5-yl-[(4R,5S)-4-(pyridin-4-ylmethoxymethyl)-6-oxa-9-azaspiro[4.5]decan-9-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,2-oxazol-5-yl-[(4R,5S)-4-(pyridin-4-ylmethoxymethyl)-6-oxa-9-azaspiro[4.5]decan-9-yl]methanone?
The IUPAC name of 1,2-oxazol-5-yl-[(4R,5S)-4-(pyridin-4-ylmethoxymethyl)-6-oxa-9-azaspiro[4.5]decan-9-yl]methanone (CID 97452493) is 1,2-oxazol-5-yl-[(4R,5S)-4-(pyridin-4-ylmethoxymethyl)-6-oxa-9-azaspiro[4.5]decan-9-yl]methanone.
What is the SMILES notation for 1,2-oxazol-5-yl-[(4R,5S)-4-(pyridin-4-ylmethoxymethyl)-6-oxa-9-azaspiro[4.5]decan-9-yl]methanone?
The canonical SMILES for 1,2-oxazol-5-yl-[(4R,5S)-4-(pyridin-4-ylmethoxymethyl)-6-oxa-9-azaspiro[4.5]decan-9-yl]methanone is O=C(c1ccno1)N1CCO[C@]2(CCC[C@@H]2COCc2ccncc2)C1.
What is the InChIKey of 1,2-oxazol-5-yl-[(4R,5S)-4-(pyridin-4-ylmethoxymethyl)-6-oxa-9-azaspiro[4.5]decan-9-yl]methanone?
The InChIKey is UCNLOEGHCJEWDN-VQIMIIECSA-N. The full InChI is InChI=1S/C19H23N3O4/c23-18(17-5-9-21-26-17)22-10-11-25-19(14-22)6-1-2-16(19)13-24-12-15-3-7-20-8-4-15/h3-5,7-9,16H,1-2,6,10-14H2/t16-,19-/m1/s1.
What are the key properties of 1,2-oxazol-5-yl-[(4R,5S)-4-(pyridin-4-ylmethoxymethyl)-6-oxa-9-azaspiro[4.5]decan-9-yl]methanone?
1,2-oxazol-5-yl-[(4R,5S)-4-(pyridin-4-ylmethoxymethyl)-6-oxa-9-azaspiro[4.5]decan-9-yl]methanone has a molecular weight of 357.41 g/mol, XLogP of 2.30, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-oxazol-5-yl-[(4R,5S)-4-(pyridin-4-ylmethoxymethyl)-6-oxa-9-azaspiro[4.5]decan-9-yl]methanone is sourced from PubChem (CID 97452493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).