(5R)-5-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-3-phenyl-4,5-dihydro-1,2-oxazole

C17H21NO3 — CID 13207354

IUPAC(5R)-5-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-3-phenyl-4,5-dihydro-1,2-oxazole
SMILESc1ccc(C2=NO[C@@H]([C@H]3COC4(CCCCC4)O3)C2)cc1
InChIInChI=1S/C17H21NO3/c1-3-7-13(8-4-1)14-11-15(21-18-14)16-12-19-17(20-16)9-5-2-6-10-17/h1,3-4,7-8,15-16H,2,5-6,9-12H2/t15-,16-/m1/s1
InChIKeyPPBDGSPXMXZHIJ-HZPDHXFCSA-N
MW287.36 g/mol
LogP3.26
Rot. Bonds2

About (5R)-5-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-3-phenyl-4,5-dihydro-1,2-oxazole

(5R)-5-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-3-phenyl-4,5-dihydro-1,2-oxazole (PubChem CID 13207354) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is (5R)-5-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-3-phenyl-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name(5R)-5-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-3-phenyl-4,5-dihydro-1,2-oxazole
PubChem CID13207354
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name(5R)-5-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-3-phenyl-4,5-dihydro-1,2-oxazole
SMILESc1ccc(C2=NO[C@@H]([C@H]3COC4(CCCCC4)O3)C2)cc1
InChIInChI=1S/C17H21NO3/c1-3-7-13(8-4-1)14-11-15(21-18-14)16-12-19-17(20-16)9-5-2-6-10-17/h1,3-4,7-8,15-16H,2,5-6,9-12H2/t15-,16-/m1/s1
InChIKeyPPBDGSPXMXZHIJ-HZPDHXFCSA-N
XLogP3.26
TPSA40.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-3-phenyl-4,5-dihydro-1,2-oxazole?
The IUPAC name of (5R)-5-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-3-phenyl-4,5-dihydro-1,2-oxazole (CID 13207354) is (5R)-5-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-3-phenyl-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for (5R)-5-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-3-phenyl-4,5-dihydro-1,2-oxazole?
The canonical SMILES for (5R)-5-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-3-phenyl-4,5-dihydro-1,2-oxazole is c1ccc(C2=NO[C@@H]([C@H]3COC4(CCCCC4)O3)C2)cc1.
What is the InChIKey of (5R)-5-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-3-phenyl-4,5-dihydro-1,2-oxazole?
The InChIKey is PPBDGSPXMXZHIJ-HZPDHXFCSA-N. The full InChI is InChI=1S/C17H21NO3/c1-3-7-13(8-4-1)14-11-15(21-18-14)16-12-19-17(20-16)9-5-2-6-10-17/h1,3-4,7-8,15-16H,2,5-6,9-12H2/t15-,16-/m1/s1.
What are the key properties of (5R)-5-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-3-phenyl-4,5-dihydro-1,2-oxazole?
(5R)-5-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-3-phenyl-4,5-dihydro-1,2-oxazole has a molecular weight of 287.36 g/mol, XLogP of 3.26, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-3-phenyl-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 13207354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).