(4R)-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide

C20H23N3O4 — CID 125173720

IUPAC(4R)-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide
SMILESCc1cccc(-c2noc(CNC(=O)[C@@H]3CC(=O)OC34CCCCC4)n2)c1
InChIInChI=1S/C20H23N3O4/c1-13-6-5-7-14(10-13)18-22-16(27-23-18)12-21-19(25)15-11-17(24)26-20(15)8-3-2-4-9-20/h5-7,10,15H,2-4,8-9,11-12H2,1H3,(H,21,25)/t15-/m0/s1
InChIKeyBYJOCZQVMZQDIU-HNNXBMFYSA-N
MW369.42 g/mol
LogP2.93
Rot. Bonds4

About (4R)-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide

(4R)-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide (PubChem CID 125173720) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is (4R)-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide.

Molecular Properties

Compound Name(4R)-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide
PubChem CID125173720
Molecular FormulaC20H23N3O4
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC Name(4R)-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide
SMILESCc1cccc(-c2noc(CNC(=O)[C@@H]3CC(=O)OC34CCCCC4)n2)c1
InChIInChI=1S/C20H23N3O4/c1-13-6-5-7-14(10-13)18-22-16(27-23-18)12-21-19(25)15-11-17(24)26-20(15)8-3-2-4-9-20/h5-7,10,15H,2-4,8-9,11-12H2,1H3,(H,21,25)/t15-/m0/s1
InChIKeyBYJOCZQVMZQDIU-HNNXBMFYSA-N
XLogP2.93
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6,6-dimethyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-oxothiomorpholine-3-carboxamide
CID 118785839
N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
CID 6459027
(4R)-N-[(4-methyl-1,3-benzoxazol-2-yl)methyl]-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide
CID 125435695
1-(3-methylphenyl)-3-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]urea
CID 6461873
(4S)-N-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide
CID 125168667
N-[(5-methyl-2H-indazol-3-yl)methyl]-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide
CID 118796001
(3S)-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 95119180
1-(3-chlorophenyl)-3-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]urea
CID 6462207
(3S)-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 30153369
N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-phenylprop-2-enamide
CID 71951744
N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-nitrophenyl)acetamide
CID 8836810
N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylsulfanylpropanamide
CID 132653294

Frequently Asked Questions

What is the IUPAC name of (4R)-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide?
The IUPAC name of (4R)-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide (CID 125173720) is (4R)-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide.
What is the SMILES notation for (4R)-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide?
The canonical SMILES for (4R)-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide is Cc1cccc(-c2noc(CNC(=O)[C@@H]3CC(=O)OC34CCCCC4)n2)c1.
What is the InChIKey of (4R)-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide?
The InChIKey is BYJOCZQVMZQDIU-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H23N3O4/c1-13-6-5-7-14(10-13)18-22-16(27-23-18)12-21-19(25)15-11-17(24)26-20(15)8-3-2-4-9-20/h5-7,10,15H,2-4,8-9,11-12H2,1H3,(H,21,25)/t15-/m0/s1.
What are the key properties of (4R)-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide?
(4R)-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide has a molecular weight of 369.42 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide is sourced from PubChem (CID 125173720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).