3-(2-ethylbutyl)-8-(3-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C20H33N3O4 — CID 70744853

IUPAC3-(2-ethylbutyl)-8-(3-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCCC(CC)CN1CC2(CCN(C(=O)C3CC(C(C)C)=NO3)CC2)OC1=O
InChIInChI=1S/C20H33N3O4/c1-5-15(6-2)12-23-13-20(26-19(23)25)7-9-22(10-8-20)18(24)17-11-16(14(3)4)21-27-17/h14-15,17H,5-13H2,1-4H3
InChIKeyRSAAZJQIIOZQPE-UHFFFAOYSA-N
MW379.50 g/mol
LogP3.04
Rot. Bonds6

About 3-(2-ethylbutyl)-8-(3-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

3-(2-ethylbutyl)-8-(3-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 70744853) has the molecular formula C20H33N3O4 and a molecular weight of 379.50 g/mol. Its IUPAC name is 3-(2-ethylbutyl)-8-(3-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name3-(2-ethylbutyl)-8-(3-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID70744853
Molecular FormulaC20H33N3O4
Molecular Weight379.50 g/mol
Exact Mass379.25
IUPAC Name3-(2-ethylbutyl)-8-(3-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCCC(CC)CN1CC2(CCN(C(=O)C3CC(C(C)C)=NO3)CC2)OC1=O
InChIInChI=1S/C20H33N3O4/c1-5-15(6-2)12-23-13-20(26-19(23)25)7-9-22(10-8-20)18(24)17-11-16(14(3)4)21-27-17/h14-15,17H,5-13H2,1-4H3
InChIKeyRSAAZJQIIOZQPE-UHFFFAOYSA-N
XLogP3.04
TPSA71.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylbutyl)-8-(3-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 3-(2-ethylbutyl)-8-(3-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 70744853) is 3-(2-ethylbutyl)-8-(3-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 3-(2-ethylbutyl)-8-(3-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 3-(2-ethylbutyl)-8-(3-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one is CCC(CC)CN1CC2(CCN(C(=O)C3CC(C(C)C)=NO3)CC2)OC1=O.
What is the InChIKey of 3-(2-ethylbutyl)-8-(3-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is RSAAZJQIIOZQPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O4/c1-5-15(6-2)12-23-13-20(26-19(23)25)7-9-22(10-8-20)18(24)17-11-16(14(3)4)21-27-17/h14-15,17H,5-13H2,1-4H3.
What are the key properties of 3-(2-ethylbutyl)-8-(3-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
3-(2-ethylbutyl)-8-(3-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 379.50 g/mol, XLogP of 3.04, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylbutyl)-8-(3-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 70744853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).