N-[[(2S)-1-oxaspiro[4.5]decan-2-yl]methyl]-3-(2-oxo-1,3-oxazolidin-3-yl)benzamide

C20H26N2O4 — CID 99795460

IUPACN-[[(2S)-1-oxaspiro[4.5]decan-2-yl]methyl]-3-(2-oxo-1,3-oxazolidin-3-yl)benzamide
SMILESO=C(NC[C@@H]1CCC2(CCCCC2)O1)c1cccc(N2CCOC2=O)c1
InChIInChI=1S/C20H26N2O4/c23-18(15-5-4-6-16(13-15)22-11-12-25-19(22)24)21-14-17-7-10-20(26-17)8-2-1-3-9-20/h4-6,13,17H,1-3,7-12,14H2,(H,21,23)/t17-/m0/s1
InChIKeyYOPLYCBBMCQVJW-KRWDZBQOSA-N
MW358.44 g/mol
LogP3.25
Rot. Bonds4

About N-[[(2S)-1-oxaspiro[4.5]decan-2-yl]methyl]-3-(2-oxo-1,3-oxazolidin-3-yl)benzamide

N-[[(2S)-1-oxaspiro[4.5]decan-2-yl]methyl]-3-(2-oxo-1,3-oxazolidin-3-yl)benzamide (PubChem CID 99795460) has the molecular formula C20H26N2O4 and a molecular weight of 358.44 g/mol. Its IUPAC name is N-[[(2S)-1-oxaspiro[4.5]decan-2-yl]methyl]-3-(2-oxo-1,3-oxazolidin-3-yl)benzamide.

Molecular Properties

Compound NameN-[[(2S)-1-oxaspiro[4.5]decan-2-yl]methyl]-3-(2-oxo-1,3-oxazolidin-3-yl)benzamide
PubChem CID99795460
Molecular FormulaC20H26N2O4
Molecular Weight358.44 g/mol
Exact Mass358.19
IUPAC NameN-[[(2S)-1-oxaspiro[4.5]decan-2-yl]methyl]-3-(2-oxo-1,3-oxazolidin-3-yl)benzamide
SMILESO=C(NC[C@@H]1CCC2(CCCCC2)O1)c1cccc(N2CCOC2=O)c1
InChIInChI=1S/C20H26N2O4/c23-18(15-5-4-6-16(13-15)22-11-12-25-19(22)24)21-14-17-7-10-20(26-17)8-2-1-3-9-20/h4-6,13,17H,1-3,7-12,14H2,(H,21,23)/t17-/m0/s1
InChIKeyYOPLYCBBMCQVJW-KRWDZBQOSA-N
XLogP3.25
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-benzylpiperidin-4-yl)methyl]-3-(2-oxo-1,3-oxazolidin-3-yl)benzamide
CID 99841245
3-(2-oxo-1,3-oxazolidin-3-yl)-N-(1-piperidin-1-ylpropan-2-yl)benzamide
CID 60508452
N-[2-[[(2S)-1-oxaspiro[4.5]decan-2-yl]methylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 99795462
3-[(1S,2S,6S,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 98124703
3-[(1S,2R,6R,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 124715554
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-(2-oxo-1,3-oxazolidin-3-yl)benzamide
CID 86836373
3-methyl-N-[[(2R)-8-(3-methylbutanoyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide
CID 42167479
3-[3-[(3aS,7aS)-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carbonyl]phenyl]-1,3-oxazolidin-2-one
CID 95973877
3-[(1S,2R,6R,7R,8R,9S)-8,9-dibromo-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 40735757
3-[(1S,2S,6R,7S,8S,9R)-8,9-dibromo-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 98164618
3-[(1S,2R,6R,7S,8R,10R)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 124720742
N-[[(2S)-8-(2-phenylethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide
CID 42440769

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-1-oxaspiro[4.5]decan-2-yl]methyl]-3-(2-oxo-1,3-oxazolidin-3-yl)benzamide?
The IUPAC name of N-[[(2S)-1-oxaspiro[4.5]decan-2-yl]methyl]-3-(2-oxo-1,3-oxazolidin-3-yl)benzamide (CID 99795460) is N-[[(2S)-1-oxaspiro[4.5]decan-2-yl]methyl]-3-(2-oxo-1,3-oxazolidin-3-yl)benzamide.
What is the SMILES notation for N-[[(2S)-1-oxaspiro[4.5]decan-2-yl]methyl]-3-(2-oxo-1,3-oxazolidin-3-yl)benzamide?
The canonical SMILES for N-[[(2S)-1-oxaspiro[4.5]decan-2-yl]methyl]-3-(2-oxo-1,3-oxazolidin-3-yl)benzamide is O=C(NC[C@@H]1CCC2(CCCCC2)O1)c1cccc(N2CCOC2=O)c1.
What is the InChIKey of N-[[(2S)-1-oxaspiro[4.5]decan-2-yl]methyl]-3-(2-oxo-1,3-oxazolidin-3-yl)benzamide?
The InChIKey is YOPLYCBBMCQVJW-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H26N2O4/c23-18(15-5-4-6-16(13-15)22-11-12-25-19(22)24)21-14-17-7-10-20(26-17)8-2-1-3-9-20/h4-6,13,17H,1-3,7-12,14H2,(H,21,23)/t17-/m0/s1.
What are the key properties of N-[[(2S)-1-oxaspiro[4.5]decan-2-yl]methyl]-3-(2-oxo-1,3-oxazolidin-3-yl)benzamide?
N-[[(2S)-1-oxaspiro[4.5]decan-2-yl]methyl]-3-(2-oxo-1,3-oxazolidin-3-yl)benzamide has a molecular weight of 358.44 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-1-oxaspiro[4.5]decan-2-yl]methyl]-3-(2-oxo-1,3-oxazolidin-3-yl)benzamide is sourced from PubChem (CID 99795460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).