2-[[(2R)-oxolan-2-yl]methyl]-8-(5-propan-2-yl-1,2-oxazole-3-carbonyl)-2,8-diazaspiro[4.5]decan-3-one

C20H29N3O4 — CID 97196956

IUPAC2-[[(2R)-oxolan-2-yl]methyl]-8-(5-propan-2-yl-1,2-oxazole-3-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
SMILESCC(C)c1cc(C(=O)N2CCC3(CC2)CC(=O)N(C[C@H]2CCCO2)C3)no1
InChIInChI=1S/C20H29N3O4/c1-14(2)17-10-16(21-27-17)19(25)22-7-5-20(6-8-22)11-18(24)23(13-20)12-15-4-3-9-26-15/h10,14-15H,3-9,11-13H2,1-2H3/t15-/m1/s1
InChIKeyGOTJPJMSZHPOHT-OAHLLOKOSA-N
MW375.47 g/mol
LogP2.43
Rot. Bonds4

About 2-[[(2R)-oxolan-2-yl]methyl]-8-(5-propan-2-yl-1,2-oxazole-3-carbonyl)-2,8-diazaspiro[4.5]decan-3-one

2-[[(2R)-oxolan-2-yl]methyl]-8-(5-propan-2-yl-1,2-oxazole-3-carbonyl)-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 97196956) has the molecular formula C20H29N3O4 and a molecular weight of 375.47 g/mol. Its IUPAC name is 2-[[(2R)-oxolan-2-yl]methyl]-8-(5-propan-2-yl-1,2-oxazole-3-carbonyl)-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name2-[[(2R)-oxolan-2-yl]methyl]-8-(5-propan-2-yl-1,2-oxazole-3-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
PubChem CID97196956
Molecular FormulaC20H29N3O4
Molecular Weight375.47 g/mol
Exact Mass375.22
IUPAC Name2-[[(2R)-oxolan-2-yl]methyl]-8-(5-propan-2-yl-1,2-oxazole-3-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
SMILESCC(C)c1cc(C(=O)N2CCC3(CC2)CC(=O)N(C[C@H]2CCCO2)C3)no1
InChIInChI=1S/C20H29N3O4/c1-14(2)17-10-16(21-27-17)19(25)22-7-5-20(6-8-22)11-18(24)23(13-20)12-15-4-3-9-26-15/h10,14-15H,3-9,11-13H2,1-2H3/t15-/m1/s1
InChIKeyGOTJPJMSZHPOHT-OAHLLOKOSA-N
XLogP2.43
TPSA75.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[[(2R)-oxolan-2-yl]methyl]-8-(5-propan-2-yl-1,2-oxazole-3-carbonyl)-2,8-diazaspiro[4.5]decan-3-one with MolForge

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Related Compounds

8-(5-methyl-1,3-oxazole-4-carbonyl)-2-[[(2S)-oxolan-2-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one
CID 97188197
8-(2,5-dimethylfuran-3-carbonyl)-2-[[(2R)-oxolan-2-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one
CID 97191551
8-(5-acetylthiophene-2-carbonyl)-2-[[(2S)-oxolan-2-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one
CID 97192442
9-(5-methylpyridine-2-carbonyl)-2-[[(2R)-oxolan-2-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97121852
2-(cyclopropylmethyl)-8-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
CID 131686898
9-(4-methyl-1H-pyrrole-2-carbonyl)-2-[[(2R)-oxolan-2-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97139222
8-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-2-[[(2R)-oxolan-2-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one
CID 97194827
2-[[(2S)-oxolan-2-yl]methyl]-9-(1H-pyrrole-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 97137788
9-(3-hydroxy-4-methylbenzoyl)-2-[[(2S)-oxolan-2-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97121278
9-(2-ethylpyrimidine-5-carbonyl)-2-[[(2R)-oxolan-2-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97137793
9-(4-methoxy-3-methylbenzoyl)-2-[[(2S)-oxolan-2-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97133808
9-(4-chloro-1-methylpyrrole-2-carbonyl)-2-[[(2R)-oxolan-2-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97156420

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-oxolan-2-yl]methyl]-8-(5-propan-2-yl-1,2-oxazole-3-carbonyl)-2,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 2-[[(2R)-oxolan-2-yl]methyl]-8-(5-propan-2-yl-1,2-oxazole-3-carbonyl)-2,8-diazaspiro[4.5]decan-3-one (CID 97196956) is 2-[[(2R)-oxolan-2-yl]methyl]-8-(5-propan-2-yl-1,2-oxazole-3-carbonyl)-2,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 2-[[(2R)-oxolan-2-yl]methyl]-8-(5-propan-2-yl-1,2-oxazole-3-carbonyl)-2,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 2-[[(2R)-oxolan-2-yl]methyl]-8-(5-propan-2-yl-1,2-oxazole-3-carbonyl)-2,8-diazaspiro[4.5]decan-3-one is CC(C)c1cc(C(=O)N2CCC3(CC2)CC(=O)N(C[C@H]2CCCO2)C3)no1.
What is the InChIKey of 2-[[(2R)-oxolan-2-yl]methyl]-8-(5-propan-2-yl-1,2-oxazole-3-carbonyl)-2,8-diazaspiro[4.5]decan-3-one?
The InChIKey is GOTJPJMSZHPOHT-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H29N3O4/c1-14(2)17-10-16(21-27-17)19(25)22-7-5-20(6-8-22)11-18(24)23(13-20)12-15-4-3-9-26-15/h10,14-15H,3-9,11-13H2,1-2H3/t15-/m1/s1.
What are the key properties of 2-[[(2R)-oxolan-2-yl]methyl]-8-(5-propan-2-yl-1,2-oxazole-3-carbonyl)-2,8-diazaspiro[4.5]decan-3-one?
2-[[(2R)-oxolan-2-yl]methyl]-8-(5-propan-2-yl-1,2-oxazole-3-carbonyl)-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 375.47 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-oxolan-2-yl]methyl]-8-(5-propan-2-yl-1,2-oxazole-3-carbonyl)-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 97196956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).