N-[[2-[(2-methoxyphenyl)methyl]-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]-1,2-oxazole-5-carboxamide

C20H25N3O4 — CID 131661153

IUPACN-[[2-[(2-methoxyphenyl)methyl]-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]-1,2-oxazole-5-carboxamide
SMILESCOc1ccccc1CN1CC2(CCC(CNC(=O)c3ccno3)CO2)C1
InChIInChI=1S/C20H25N3O4/c1-25-17-5-3-2-4-16(17)11-23-13-20(14-23)8-6-15(12-26-20)10-21-19(24)18-7-9-22-27-18/h2-5,7,9,15H,6,8,10-14H2,1H3,(H,21,24)
InChIKeyYDNARWNTKAQXIX-UHFFFAOYSA-N
MW371.44 g/mol
LogP2.09
Rot. Bonds6

About N-[[2-[(2-methoxyphenyl)methyl]-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]-1,2-oxazole-5-carboxamide

N-[[2-[(2-methoxyphenyl)methyl]-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]-1,2-oxazole-5-carboxamide (PubChem CID 131661153) has the molecular formula C20H25N3O4 and a molecular weight of 371.44 g/mol. Its IUPAC name is N-[[2-[(2-methoxyphenyl)methyl]-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[[2-[(2-methoxyphenyl)methyl]-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]-1,2-oxazole-5-carboxamide
PubChem CID131661153
Molecular FormulaC20H25N3O4
Molecular Weight371.44 g/mol
Exact Mass371.18
IUPAC NameN-[[2-[(2-methoxyphenyl)methyl]-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]-1,2-oxazole-5-carboxamide
SMILESCOc1ccccc1CN1CC2(CCC(CNC(=O)c3ccno3)CO2)C1
InChIInChI=1S/C20H25N3O4/c1-25-17-5-3-2-4-16(17)11-23-13-20(14-23)8-6-15(12-26-20)10-21-19(24)18-7-9-22-27-18/h2-5,7,9,15H,6,8,10-14H2,1H3,(H,21,24)
InChIKeyYDNARWNTKAQXIX-UHFFFAOYSA-N
XLogP2.09
TPSA76.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[(7R)-2-[(2-methoxyphenyl)methyl]-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]-1,2-oxazole-5-carboxamide
CID 124820874
N-[[2-[(2-fluorophenyl)methyl]-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]-1,2-oxazole-5-carboxamide
CID 133137321
N-[2-[2-[(2-methoxyphenyl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]-1,2-oxazole-5-carboxamide
CID 133137467
N-[[2-(2-methylcyclopropanecarbonyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]-1,2-oxazole-5-carboxamide
CID 131692562
N-[[2-(cyclobutanecarbonyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]-1,2-oxazole-5-carboxamide
CID 131692659
N-[(2-methoxyphenyl)methyl]-1,2-oxazole-5-carboxamide
CID 110693577
2-[(2-methoxyphenyl)methyl]-N,8-dimethyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide
CID 131658445
N-[[2-(1,3-benzodioxol-5-ylmethyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]-2-methylpropanamide
CID 133143312
1-methyl-N-[[2-(pyridin-2-ylmethyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyrazole-4-carboxamide
CID 131640403
N-[[8-[(2-methoxyphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 45210366
N-[[2-[(2-cyanophenyl)methyl]-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyrrolidine-1-carboxamide
CID 133135634
N-[[(7S)-2-methyl-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyridine-3-carboxamide
CID 124813942

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2-methoxyphenyl)methyl]-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[[2-[(2-methoxyphenyl)methyl]-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]-1,2-oxazole-5-carboxamide (CID 131661153) is N-[[2-[(2-methoxyphenyl)methyl]-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[[2-[(2-methoxyphenyl)methyl]-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[[2-[(2-methoxyphenyl)methyl]-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]-1,2-oxazole-5-carboxamide is COc1ccccc1CN1CC2(CCC(CNC(=O)c3ccno3)CO2)C1.
What is the InChIKey of N-[[2-[(2-methoxyphenyl)methyl]-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]-1,2-oxazole-5-carboxamide?
The InChIKey is YDNARWNTKAQXIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4/c1-25-17-5-3-2-4-16(17)11-23-13-20(14-23)8-6-15(12-26-20)10-21-19(24)18-7-9-22-27-18/h2-5,7,9,15H,6,8,10-14H2,1H3,(H,21,24).
What are the key properties of N-[[2-[(2-methoxyphenyl)methyl]-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]-1,2-oxazole-5-carboxamide?
N-[[2-[(2-methoxyphenyl)methyl]-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]-1,2-oxazole-5-carboxamide has a molecular weight of 371.44 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(2-methoxyphenyl)methyl]-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 131661153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).