2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-8-[(2S)-oxolane-2-carbonyl]-2,8-diazaspiro[4.5]decan-3-one

C19H27N3O4 — CID 97147246

IUPAC2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-8-[(2S)-oxolane-2-carbonyl]-2,8-diazaspiro[4.5]decan-3-one
SMILESCc1noc(C)c1CN1CC2(CCN(C(=O)[C@@H]3CCCO3)CC2)CC1=O
InChIInChI=1S/C19H27N3O4/c1-13-15(14(2)26-20-13)11-22-12-19(10-17(22)23)5-7-21(8-6-19)18(24)16-4-3-9-25-16/h16H,3-12H2,1-2H3/t16-/m0/s1
InChIKeyYYGXUMRXSWVIDL-INIZCTEOSA-N
MW361.44 g/mol
LogP1.81
Rot. Bonds3

About 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-8-[(2S)-oxolane-2-carbonyl]-2,8-diazaspiro[4.5]decan-3-one

2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-8-[(2S)-oxolane-2-carbonyl]-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 97147246) has the molecular formula C19H27N3O4 and a molecular weight of 361.44 g/mol. Its IUPAC name is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-8-[(2S)-oxolane-2-carbonyl]-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-8-[(2S)-oxolane-2-carbonyl]-2,8-diazaspiro[4.5]decan-3-one
PubChem CID97147246
Molecular FormulaC19H27N3O4
Molecular Weight361.44 g/mol
Exact Mass361.20
IUPAC Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-8-[(2S)-oxolane-2-carbonyl]-2,8-diazaspiro[4.5]decan-3-one
SMILESCc1noc(C)c1CN1CC2(CCN(C(=O)[C@@H]3CCCO3)CC2)CC1=O
InChIInChI=1S/C19H27N3O4/c1-13-15(14(2)26-20-13)11-22-12-19(10-17(22)23)5-7-21(8-6-19)18(24)16-4-3-9-25-16/h16H,3-12H2,1-2H3/t16-/m0/s1
InChIKeyYYGXUMRXSWVIDL-INIZCTEOSA-N
XLogP1.81
TPSA75.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-8-[(2S)-oxolane-2-carbonyl]-2,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-8-[(2S)-oxolane-2-carbonyl]-2,8-diazaspiro[4.5]decan-3-one (CID 97147246) is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-8-[(2S)-oxolane-2-carbonyl]-2,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-8-[(2S)-oxolane-2-carbonyl]-2,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-8-[(2S)-oxolane-2-carbonyl]-2,8-diazaspiro[4.5]decan-3-one is Cc1noc(C)c1CN1CC2(CCN(C(=O)[C@@H]3CCCO3)CC2)CC1=O.
What is the InChIKey of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-8-[(2S)-oxolane-2-carbonyl]-2,8-diazaspiro[4.5]decan-3-one?
The InChIKey is YYGXUMRXSWVIDL-INIZCTEOSA-N. The full InChI is InChI=1S/C19H27N3O4/c1-13-15(14(2)26-20-13)11-22-12-19(10-17(22)23)5-7-21(8-6-19)18(24)16-4-3-9-25-16/h16H,3-12H2,1-2H3/t16-/m0/s1.
What are the key properties of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-8-[(2S)-oxolane-2-carbonyl]-2,8-diazaspiro[4.5]decan-3-one?
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-8-[(2S)-oxolane-2-carbonyl]-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 361.44 g/mol, XLogP of 1.81, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-8-[(2S)-oxolane-2-carbonyl]-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 97147246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).