N-[(1R,3R)-3-hydroxy-7-oxaspiro[3.5]nonan-1-yl]-5-methyl-1,3-oxazole-2-carboxamide

C13H18N2O4 — CID 154767484

IUPACN-[(1R,3R)-3-hydroxy-7-oxaspiro[3.5]nonan-1-yl]-5-methyl-1,3-oxazole-2-carboxamide
SMILESCc1cnc(C(=O)N[C@@H]2C[C@@H](O)C23CCOCC3)o1
InChIInChI=1S/C13H18N2O4/c1-8-7-14-12(19-8)11(17)15-9-6-10(16)13(9)2-4-18-5-3-13/h7,9-10,16H,2-6H2,1H3,(H,15,17)/t9-,10-/m1/s1
InChIKeyVVRQWSBZJCAGCS-NXEZZACHSA-N
MW266.30 g/mol
LogP0.64
Rot. Bonds2

About N-[(1R,3R)-3-hydroxy-7-oxaspiro[3.5]nonan-1-yl]-5-methyl-1,3-oxazole-2-carboxamide

N-[(1R,3R)-3-hydroxy-7-oxaspiro[3.5]nonan-1-yl]-5-methyl-1,3-oxazole-2-carboxamide (PubChem CID 154767484) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is N-[(1R,3R)-3-hydroxy-7-oxaspiro[3.5]nonan-1-yl]-5-methyl-1,3-oxazole-2-carboxamide.

Molecular Properties

Compound NameN-[(1R,3R)-3-hydroxy-7-oxaspiro[3.5]nonan-1-yl]-5-methyl-1,3-oxazole-2-carboxamide
PubChem CID154767484
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC NameN-[(1R,3R)-3-hydroxy-7-oxaspiro[3.5]nonan-1-yl]-5-methyl-1,3-oxazole-2-carboxamide
SMILESCc1cnc(C(=O)N[C@@H]2C[C@@H](O)C23CCOCC3)o1
InChIInChI=1S/C13H18N2O4/c1-8-7-14-12(19-8)11(17)15-9-6-10(16)13(9)2-4-18-5-3-13/h7,9-10,16H,2-6H2,1H3,(H,15,17)/t9-,10-/m1/s1
InChIKeyVVRQWSBZJCAGCS-NXEZZACHSA-N
XLogP0.64
TPSA84.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,3R)-3-hydroxy-7-oxaspiro[3.5]nonan-1-yl]-5-methyl-1,3-oxazole-2-carboxamide?
The IUPAC name of N-[(1R,3R)-3-hydroxy-7-oxaspiro[3.5]nonan-1-yl]-5-methyl-1,3-oxazole-2-carboxamide (CID 154767484) is N-[(1R,3R)-3-hydroxy-7-oxaspiro[3.5]nonan-1-yl]-5-methyl-1,3-oxazole-2-carboxamide.
What is the SMILES notation for N-[(1R,3R)-3-hydroxy-7-oxaspiro[3.5]nonan-1-yl]-5-methyl-1,3-oxazole-2-carboxamide?
The canonical SMILES for N-[(1R,3R)-3-hydroxy-7-oxaspiro[3.5]nonan-1-yl]-5-methyl-1,3-oxazole-2-carboxamide is Cc1cnc(C(=O)N[C@@H]2C[C@@H](O)C23CCOCC3)o1.
What is the InChIKey of N-[(1R,3R)-3-hydroxy-7-oxaspiro[3.5]nonan-1-yl]-5-methyl-1,3-oxazole-2-carboxamide?
The InChIKey is VVRQWSBZJCAGCS-NXEZZACHSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-8-7-14-12(19-8)11(17)15-9-6-10(16)13(9)2-4-18-5-3-13/h7,9-10,16H,2-6H2,1H3,(H,15,17)/t9-,10-/m1/s1.
What are the key properties of N-[(1R,3R)-3-hydroxy-7-oxaspiro[3.5]nonan-1-yl]-5-methyl-1,3-oxazole-2-carboxamide?
N-[(1R,3R)-3-hydroxy-7-oxaspiro[3.5]nonan-1-yl]-5-methyl-1,3-oxazole-2-carboxamide has a molecular weight of 266.30 g/mol, XLogP of 0.64, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,3R)-3-hydroxy-7-oxaspiro[3.5]nonan-1-yl]-5-methyl-1,3-oxazole-2-carboxamide is sourced from PubChem (CID 154767484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).