8-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)-3-pentan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C19H29N3O4 — CID 70705614

IUPAC8-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)-3-pentan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCCCC(C)N1CC2(CCN(C(=O)c3c(CC)noc3C)CC2)OC1=O
InChIInChI=1S/C19H29N3O4/c1-5-7-13(3)22-12-19(25-18(22)24)8-10-21(11-9-19)17(23)16-14(4)26-20-15(16)6-2/h13H,5-12H2,1-4H3
InChIKeyLSCPUUNJGHTYDP-UHFFFAOYSA-N
MW363.46 g/mol
LogP3.16
Rot. Bonds5

About 8-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)-3-pentan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one

8-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)-3-pentan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 70705614) has the molecular formula C19H29N3O4 and a molecular weight of 363.46 g/mol. Its IUPAC name is 8-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)-3-pentan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)-3-pentan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID70705614
Molecular FormulaC19H29N3O4
Molecular Weight363.46 g/mol
Exact Mass363.22
IUPAC Name8-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)-3-pentan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCCCC(C)N1CC2(CCN(C(=O)c3c(CC)noc3C)CC2)OC1=O
InChIInChI=1S/C19H29N3O4/c1-5-7-13(3)22-12-19(25-18(22)24)8-10-21(11-9-19)17(23)16-14(4)26-20-15(16)6-2/h13H,5-12H2,1-4H3
InChIKeyLSCPUUNJGHTYDP-UHFFFAOYSA-N
XLogP3.16
TPSA75.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)-3-pentan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)-3-pentan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 70705614) is 8-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)-3-pentan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)-3-pentan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)-3-pentan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one is CCCC(C)N1CC2(CCN(C(=O)c3c(CC)noc3C)CC2)OC1=O.
What is the InChIKey of 8-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)-3-pentan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is LSCPUUNJGHTYDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O4/c1-5-7-13(3)22-12-19(25-18(22)24)8-10-21(11-9-19)17(23)16-14(4)26-20-15(16)6-2/h13H,5-12H2,1-4H3.
What are the key properties of 8-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)-3-pentan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
8-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)-3-pentan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 363.46 g/mol, XLogP of 3.16, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)-3-pentan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 70705614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).