(5R)-9-[(5R)-3-(2-chlorophenyl)-5-methyl-4H-1,2-oxazole-5-carbonyl]-5-phenyl-3,9-diazaspiro[5.5]undecan-2-one

C26H28ClN3O3 — CID 129458903

IUPAC(5R)-9-[(5R)-3-(2-chlorophenyl)-5-methyl-4H-1,2-oxazole-5-carbonyl]-5-phenyl-3,9-diazaspiro[5.5]undecan-2-one
SMILESC[C@]1(C(=O)N2CCC3(CC2)CC(=O)NC[C@H]3c2ccccc2)CC(c2ccccc2Cl)=NO1
InChIInChI=1S/C26H28ClN3O3/c1-25(15-22(29-33-25)19-9-5-6-10-21(19)27)24(32)30-13-11-26(12-14-30)16-23(31)28-17-20(26)18-7-3-2-4-8-18/h2-10,20H,11-17H2,1H3,(H,28,31)/t20-,25+/m0/s1
InChIKeyVOYFGFDKYMGZFH-NBGIEHNGSA-N
MW465.98 g/mol
LogP4.14
Rot. Bonds3

About (5R)-9-[(5R)-3-(2-chlorophenyl)-5-methyl-4H-1,2-oxazole-5-carbonyl]-5-phenyl-3,9-diazaspiro[5.5]undecan-2-one

(5R)-9-[(5R)-3-(2-chlorophenyl)-5-methyl-4H-1,2-oxazole-5-carbonyl]-5-phenyl-3,9-diazaspiro[5.5]undecan-2-one (PubChem CID 129458903) has the molecular formula C26H28ClN3O3 and a molecular weight of 465.98 g/mol. Its IUPAC name is (5R)-9-[(5R)-3-(2-chlorophenyl)-5-methyl-4H-1,2-oxazole-5-carbonyl]-5-phenyl-3,9-diazaspiro[5.5]undecan-2-one.

Molecular Properties

Compound Name(5R)-9-[(5R)-3-(2-chlorophenyl)-5-methyl-4H-1,2-oxazole-5-carbonyl]-5-phenyl-3,9-diazaspiro[5.5]undecan-2-one
PubChem CID129458903
Molecular FormulaC26H28ClN3O3
Molecular Weight465.98 g/mol
Exact Mass465.18
IUPAC Name(5R)-9-[(5R)-3-(2-chlorophenyl)-5-methyl-4H-1,2-oxazole-5-carbonyl]-5-phenyl-3,9-diazaspiro[5.5]undecan-2-one
SMILESC[C@]1(C(=O)N2CCC3(CC2)CC(=O)NC[C@H]3c2ccccc2)CC(c2ccccc2Cl)=NO1
InChIInChI=1S/C26H28ClN3O3/c1-25(15-22(29-33-25)19-9-5-6-10-21(19)27)24(32)30-13-11-26(12-14-30)16-23(31)28-17-20(26)18-7-3-2-4-8-18/h2-10,20H,11-17H2,1H3,(H,28,31)/t20-,25+/m0/s1
InChIKeyVOYFGFDKYMGZFH-NBGIEHNGSA-N
XLogP4.14
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.98
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5R)-9-[(5R)-3-(2-chlorophenyl)-5-methyl-4H-1,2-oxazole-5-carbonyl]-5-phenyl-3,9-diazaspiro[5.5]undecan-2-one?
The IUPAC name of (5R)-9-[(5R)-3-(2-chlorophenyl)-5-methyl-4H-1,2-oxazole-5-carbonyl]-5-phenyl-3,9-diazaspiro[5.5]undecan-2-one (CID 129458903) is (5R)-9-[(5R)-3-(2-chlorophenyl)-5-methyl-4H-1,2-oxazole-5-carbonyl]-5-phenyl-3,9-diazaspiro[5.5]undecan-2-one.
What is the SMILES notation for (5R)-9-[(5R)-3-(2-chlorophenyl)-5-methyl-4H-1,2-oxazole-5-carbonyl]-5-phenyl-3,9-diazaspiro[5.5]undecan-2-one?
The canonical SMILES for (5R)-9-[(5R)-3-(2-chlorophenyl)-5-methyl-4H-1,2-oxazole-5-carbonyl]-5-phenyl-3,9-diazaspiro[5.5]undecan-2-one is C[C@]1(C(=O)N2CCC3(CC2)CC(=O)NC[C@H]3c2ccccc2)CC(c2ccccc2Cl)=NO1.
What is the InChIKey of (5R)-9-[(5R)-3-(2-chlorophenyl)-5-methyl-4H-1,2-oxazole-5-carbonyl]-5-phenyl-3,9-diazaspiro[5.5]undecan-2-one?
The InChIKey is VOYFGFDKYMGZFH-NBGIEHNGSA-N. The full InChI is InChI=1S/C26H28ClN3O3/c1-25(15-22(29-33-25)19-9-5-6-10-21(19)27)24(32)30-13-11-26(12-14-30)16-23(31)28-17-20(26)18-7-3-2-4-8-18/h2-10,20H,11-17H2,1H3,(H,28,31)/t20-,25+/m0/s1.
What are the key properties of (5R)-9-[(5R)-3-(2-chlorophenyl)-5-methyl-4H-1,2-oxazole-5-carbonyl]-5-phenyl-3,9-diazaspiro[5.5]undecan-2-one?
(5R)-9-[(5R)-3-(2-chlorophenyl)-5-methyl-4H-1,2-oxazole-5-carbonyl]-5-phenyl-3,9-diazaspiro[5.5]undecan-2-one has a molecular weight of 465.98 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-9-[(5R)-3-(2-chlorophenyl)-5-methyl-4H-1,2-oxazole-5-carbonyl]-5-phenyl-3,9-diazaspiro[5.5]undecan-2-one is sourced from PubChem (CID 129458903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).