3-[2-oxo-2-[(2S)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C19H28N4O4 — CID 97283219

IUPAC3-[2-oxo-2-[(2S)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCC(C)c1cc([C@@H]2CCCN2C(=O)CN2CC3(CCNCC3)OC2=O)no1
InChIInChI=1S/C19H28N4O4/c1-13(2)16-10-14(21-27-16)15-4-3-9-23(15)17(24)11-22-12-19(26-18(22)25)5-7-20-8-6-19/h10,13,15,20H,3-9,11-12H2,1-2H3/t15-/m0/s1
InChIKeyHXKLIKSTMNKHIJ-HNNXBMFYSA-N
MW376.46 g/mol
LogP2.04
Rot. Bonds4

About 3-[2-oxo-2-[(2S)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

3-[2-oxo-2-[(2S)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 97283219) has the molecular formula C19H28N4O4 and a molecular weight of 376.46 g/mol. Its IUPAC name is 3-[2-oxo-2-[(2S)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name3-[2-oxo-2-[(2S)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID97283219
Molecular FormulaC19H28N4O4
Molecular Weight376.46 g/mol
Exact Mass376.21
IUPAC Name3-[2-oxo-2-[(2S)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCC(C)c1cc([C@@H]2CCCN2C(=O)CN2CC3(CCNCC3)OC2=O)no1
InChIInChI=1S/C19H28N4O4/c1-13(2)16-10-14(21-27-16)15-4-3-9-23(15)17(24)11-22-12-19(26-18(22)25)5-7-20-8-6-19/h10,13,15,20H,3-9,11-12H2,1-2H3/t15-/m0/s1
InChIKeyHXKLIKSTMNKHIJ-HNNXBMFYSA-N
XLogP2.04
TPSA87.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[2-oxo-2-[(2S)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[2-oxo-2-[(2S)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 3-[2-oxo-2-[(2S)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 97283219) is 3-[2-oxo-2-[(2S)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 3-[2-oxo-2-[(2S)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 3-[2-oxo-2-[(2S)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is CC(C)c1cc([C@@H]2CCCN2C(=O)CN2CC3(CCNCC3)OC2=O)no1.
What is the InChIKey of 3-[2-oxo-2-[(2S)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is HXKLIKSTMNKHIJ-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H28N4O4/c1-13(2)16-10-14(21-27-16)15-4-3-9-23(15)17(24)11-22-12-19(26-18(22)25)5-7-20-8-6-19/h10,13,15,20H,3-9,11-12H2,1-2H3/t15-/m0/s1.
What are the key properties of 3-[2-oxo-2-[(2S)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
3-[2-oxo-2-[(2S)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 376.46 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-oxo-2-[(2S)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 97283219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).