N-[(1S,3R)-3-ethoxyspiro[3.4]octan-1-yl]-5-[(2R)-oxolan-2-yl]-1,3-oxazole-4-carboxamide

C18H26N2O4 — CID 129434925

IUPACN-[(1S,3R)-3-ethoxyspiro[3.4]octan-1-yl]-5-[(2R)-oxolan-2-yl]-1,3-oxazole-4-carboxamide
SMILESCCO[C@@H]1C[C@H](NC(=O)c2ncoc2[C@H]2CCCO2)C12CCCC2
InChIInChI=1S/C18H26N2O4/c1-2-22-14-10-13(18(14)7-3-4-8-18)20-17(21)15-16(24-11-19-15)12-6-5-9-23-12/h11-14H,2-10H2,1H3,(H,20,21)/t12-,13+,14-/m1/s1
InChIKeyZHMYWWMLLDBQJZ-HZSPNIEDSA-N
MW334.42 g/mol
LogP2.99
Rot. Bonds5

About N-[(1S,3R)-3-ethoxyspiro[3.4]octan-1-yl]-5-[(2R)-oxolan-2-yl]-1,3-oxazole-4-carboxamide

N-[(1S,3R)-3-ethoxyspiro[3.4]octan-1-yl]-5-[(2R)-oxolan-2-yl]-1,3-oxazole-4-carboxamide (PubChem CID 129434925) has the molecular formula C18H26N2O4 and a molecular weight of 334.42 g/mol. Its IUPAC name is N-[(1S,3R)-3-ethoxyspiro[3.4]octan-1-yl]-5-[(2R)-oxolan-2-yl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1S,3R)-3-ethoxyspiro[3.4]octan-1-yl]-5-[(2R)-oxolan-2-yl]-1,3-oxazole-4-carboxamide
PubChem CID129434925
Molecular FormulaC18H26N2O4
Molecular Weight334.42 g/mol
Exact Mass334.19
IUPAC NameN-[(1S,3R)-3-ethoxyspiro[3.4]octan-1-yl]-5-[(2R)-oxolan-2-yl]-1,3-oxazole-4-carboxamide
SMILESCCO[C@@H]1C[C@H](NC(=O)c2ncoc2[C@H]2CCCO2)C12CCCC2
InChIInChI=1S/C18H26N2O4/c1-2-22-14-10-13(18(14)7-3-4-8-18)20-17(21)15-16(24-11-19-15)12-6-5-9-23-12/h11-14H,2-10H2,1H3,(H,20,21)/t12-,13+,14-/m1/s1
InChIKeyZHMYWWMLLDBQJZ-HZSPNIEDSA-N
XLogP2.99
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1S,3R)-3-ethoxyspiro[3.5]nonan-1-yl]-5-[(2R)-oxolan-2-yl]-1,3-oxazole-4-carboxamide
CID 124856947
N-[(1R,6S,7R)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl]-5-[(2S)-oxolan-2-yl]-1,3-oxazole-4-carboxamide
CID 100899008
5-[(3-ethoxyspiro[3.5]nonan-1-yl)carbamoyl]pyrazine-2-carboxylic acid
CID 120685796
5-chloro-6-ethoxy-N-[(1S,3R)-3-ethoxyspiro[3.4]octan-1-yl]pyridine-3-carboxamide
CID 95782529
N-[6-(diethylamino)-3-pyridinyl]-5-[(2R)-oxolan-2-yl]-1,3-oxazole-4-carboxamide
CID 96551183
N-(3-ethoxyspiro[3.5]nonan-1-yl)acetamide
CID 86769478
3-amino-N-(3-ethoxyspiro[3.4]octan-1-yl)benzamide
CID 119794751
N-(3-ethoxyspiro[3.3]heptan-1-yl)-4-(1,2,4-triazol-1-yl)benzamide
CID 71929756
5-[[(1R,3S)-3-ethoxyspiro[3.3]heptan-1-yl]carbamoyl]furan-2-carboxylic acid
CID 124683900
N-(3-ethoxyspiro[3.4]octan-1-yl)-3-hydroxypiperidine-1-carboxamide
CID 111509101
5-(dimethoxymethyl)-N-[(1S,3R)-3-ethoxyspiro[3.4]octan-1-yl]furan-2-carboxamide
CID 100610935
N-(3-ethoxyspiro[3.4]octan-1-yl)tetrazolo[1,5-a]pyridine-6-carboxamide
CID 75379390

Frequently Asked Questions

What is the IUPAC name of N-[(1S,3R)-3-ethoxyspiro[3.4]octan-1-yl]-5-[(2R)-oxolan-2-yl]-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[(1S,3R)-3-ethoxyspiro[3.4]octan-1-yl]-5-[(2R)-oxolan-2-yl]-1,3-oxazole-4-carboxamide (CID 129434925) is N-[(1S,3R)-3-ethoxyspiro[3.4]octan-1-yl]-5-[(2R)-oxolan-2-yl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[(1S,3R)-3-ethoxyspiro[3.4]octan-1-yl]-5-[(2R)-oxolan-2-yl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[(1S,3R)-3-ethoxyspiro[3.4]octan-1-yl]-5-[(2R)-oxolan-2-yl]-1,3-oxazole-4-carboxamide is CCO[C@@H]1C[C@H](NC(=O)c2ncoc2[C@H]2CCCO2)C12CCCC2.
What is the InChIKey of N-[(1S,3R)-3-ethoxyspiro[3.4]octan-1-yl]-5-[(2R)-oxolan-2-yl]-1,3-oxazole-4-carboxamide?
The InChIKey is ZHMYWWMLLDBQJZ-HZSPNIEDSA-N. The full InChI is InChI=1S/C18H26N2O4/c1-2-22-14-10-13(18(14)7-3-4-8-18)20-17(21)15-16(24-11-19-15)12-6-5-9-23-12/h11-14H,2-10H2,1H3,(H,20,21)/t12-,13+,14-/m1/s1.
What are the key properties of N-[(1S,3R)-3-ethoxyspiro[3.4]octan-1-yl]-5-[(2R)-oxolan-2-yl]-1,3-oxazole-4-carboxamide?
N-[(1S,3R)-3-ethoxyspiro[3.4]octan-1-yl]-5-[(2R)-oxolan-2-yl]-1,3-oxazole-4-carboxamide has a molecular weight of 334.42 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,3R)-3-ethoxyspiro[3.4]octan-1-yl]-5-[(2R)-oxolan-2-yl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 129434925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).