N-[(1S,3R)-3-ethoxyspiro[3.5]nonan-1-yl]-5-[(2R)-oxolan-2-yl]-1,3-oxazole-4-carboxamide

C19H28N2O4 — CID 124856947

IUPACN-[(1S,3R)-3-ethoxyspiro[3.5]nonan-1-yl]-5-[(2R)-oxolan-2-yl]-1,3-oxazole-4-carboxamide
SMILESCCO[C@@H]1C[C@H](NC(=O)c2ncoc2[C@H]2CCCO2)C12CCCCC2
InChIInChI=1S/C19H28N2O4/c1-2-23-15-11-14(19(15)8-4-3-5-9-19)21-18(22)16-17(25-12-20-16)13-7-6-10-24-13/h12-15H,2-11H2,1H3,(H,21,22)/t13-,14+,15-/m1/s1
InChIKeyVYGMQGOSIMOPCT-QLFBSQMISA-N
MW348.44 g/mol
LogP3.38
Rot. Bonds5

About N-[(1S,3R)-3-ethoxyspiro[3.5]nonan-1-yl]-5-[(2R)-oxolan-2-yl]-1,3-oxazole-4-carboxamide

N-[(1S,3R)-3-ethoxyspiro[3.5]nonan-1-yl]-5-[(2R)-oxolan-2-yl]-1,3-oxazole-4-carboxamide (PubChem CID 124856947) has the molecular formula C19H28N2O4 and a molecular weight of 348.44 g/mol. Its IUPAC name is N-[(1S,3R)-3-ethoxyspiro[3.5]nonan-1-yl]-5-[(2R)-oxolan-2-yl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1S,3R)-3-ethoxyspiro[3.5]nonan-1-yl]-5-[(2R)-oxolan-2-yl]-1,3-oxazole-4-carboxamide
PubChem CID124856947
Molecular FormulaC19H28N2O4
Molecular Weight348.44 g/mol
Exact Mass348.20
IUPAC NameN-[(1S,3R)-3-ethoxyspiro[3.5]nonan-1-yl]-5-[(2R)-oxolan-2-yl]-1,3-oxazole-4-carboxamide
SMILESCCO[C@@H]1C[C@H](NC(=O)c2ncoc2[C@H]2CCCO2)C12CCCCC2
InChIInChI=1S/C19H28N2O4/c1-2-23-15-11-14(19(15)8-4-3-5-9-19)21-18(22)16-17(25-12-20-16)13-7-6-10-24-13/h12-15H,2-11H2,1H3,(H,21,22)/t13-,14+,15-/m1/s1
InChIKeyVYGMQGOSIMOPCT-QLFBSQMISA-N
XLogP3.38
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,3R)-3-ethoxyspiro[3.5]nonan-1-yl]-5-[(2R)-oxolan-2-yl]-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[(1S,3R)-3-ethoxyspiro[3.5]nonan-1-yl]-5-[(2R)-oxolan-2-yl]-1,3-oxazole-4-carboxamide (CID 124856947) is N-[(1S,3R)-3-ethoxyspiro[3.5]nonan-1-yl]-5-[(2R)-oxolan-2-yl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[(1S,3R)-3-ethoxyspiro[3.5]nonan-1-yl]-5-[(2R)-oxolan-2-yl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[(1S,3R)-3-ethoxyspiro[3.5]nonan-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)C12CCCCC2.
What is the InChIKey of N-[(1S,3R)-3-ethoxyspiro[3.5]nonan-1-yl]-5-[(2R)-oxolan-2-yl]-1,3-oxazole-4-carboxamide?
The InChIKey is VYGMQGOSIMOPCT-QLFBSQMISA-N. The full InChI is InChI=1S/C19H28N2O4/c1-2-23-15-11-14(19(15)8-4-3-5-9-19)21-18(22)16-17(25-12-20-16)13-7-6-10-24-13/h12-15H,2-11H2,1H3,(H,21,22)/t13-,14+,15-/m1/s1.
What are the key properties of N-[(1S,3R)-3-ethoxyspiro[3.5]nonan-1-yl]-5-[(2R)-oxolan-2-yl]-1,3-oxazole-4-carboxamide?
N-[(1S,3R)-3-ethoxyspiro[3.5]nonan-1-yl]-5-[(2R)-oxolan-2-yl]-1,3-oxazole-4-carboxamide has a molecular weight of 348.44 g/mol, XLogP of 3.38, 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[3.5]nonan-1-yl]-5-[(2R)-oxolan-2-yl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 124856947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).