3-(2-phenylpropyl)-8-(1,3-thiazol-4-ylmethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C20H25N3O2S — CID 70780245

IUPAC3-(2-phenylpropyl)-8-(1,3-thiazol-4-ylmethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCC(CN1CC2(CCN(Cc3cscn3)CC2)OC1=O)c1ccccc1
InChIInChI=1S/C20H25N3O2S/c1-16(17-5-3-2-4-6-17)11-23-14-20(25-19(23)24)7-9-22(10-8-20)12-18-13-26-15-21-18/h2-6,13,15-16H,7-12,14H2,1H3
InChIKeyIRLZLUFHPCQFGL-UHFFFAOYSA-N
MW371.51 g/mol
LogP3.73
Rot. Bonds5

About 3-(2-phenylpropyl)-8-(1,3-thiazol-4-ylmethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

3-(2-phenylpropyl)-8-(1,3-thiazol-4-ylmethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 70780245) has the molecular formula C20H25N3O2S and a molecular weight of 371.51 g/mol. Its IUPAC name is 3-(2-phenylpropyl)-8-(1,3-thiazol-4-ylmethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name3-(2-phenylpropyl)-8-(1,3-thiazol-4-ylmethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID70780245
Molecular FormulaC20H25N3O2S
Molecular Weight371.51 g/mol
Exact Mass371.17
IUPAC Name3-(2-phenylpropyl)-8-(1,3-thiazol-4-ylmethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCC(CN1CC2(CCN(Cc3cscn3)CC2)OC1=O)c1ccccc1
InChIInChI=1S/C20H25N3O2S/c1-16(17-5-3-2-4-6-17)11-23-14-20(25-19(23)24)7-9-22(10-8-20)12-18-13-26-15-21-18/h2-6,13,15-16H,7-12,14H2,1H3
InChIKeyIRLZLUFHPCQFGL-UHFFFAOYSA-N
XLogP3.73
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.51
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-phenylpropyl)-8-(1,3-thiazol-4-ylmethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 3-(2-phenylpropyl)-8-(1,3-thiazol-4-ylmethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 70780245) is 3-(2-phenylpropyl)-8-(1,3-thiazol-4-ylmethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 3-(2-phenylpropyl)-8-(1,3-thiazol-4-ylmethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 3-(2-phenylpropyl)-8-(1,3-thiazol-4-ylmethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one is CC(CN1CC2(CCN(Cc3cscn3)CC2)OC1=O)c1ccccc1.
What is the InChIKey of 3-(2-phenylpropyl)-8-(1,3-thiazol-4-ylmethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is IRLZLUFHPCQFGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2S/c1-16(17-5-3-2-4-6-17)11-23-14-20(25-19(23)24)7-9-22(10-8-20)12-18-13-26-15-21-18/h2-6,13,15-16H,7-12,14H2,1H3.
What are the key properties of 3-(2-phenylpropyl)-8-(1,3-thiazol-4-ylmethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
3-(2-phenylpropyl)-8-(1,3-thiazol-4-ylmethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 371.51 g/mol, XLogP of 3.73, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenylpropyl)-8-(1,3-thiazol-4-ylmethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 70780245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).