(3-chlorophenyl)-[(4R)-4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone

C20H24ClN3O3 — CID 99747845

IUPAC(3-chlorophenyl)-[(4R)-4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone
SMILESCC(C)c1nnc([C@H]2CN(C(=O)c3cccc(Cl)c3)CC23CCOCC3)o1
InChIInChI=1S/C20H24ClN3O3/c1-13(2)17-22-23-18(27-17)16-11-24(12-20(16)6-8-26-9-7-20)19(25)14-4-3-5-15(21)10-14/h3-5,10,13,16H,6-9,11-12H2,1-2H3/t16-/m1/s1
InChIKeyYYKSBGBNJKVTQC-MRXNPFEDSA-N
MW389.88 g/mol
LogP3.88
Rot. Bonds3

About (3-chlorophenyl)-[(4R)-4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone

(3-chlorophenyl)-[(4R)-4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone (PubChem CID 99747845) has the molecular formula C20H24ClN3O3 and a molecular weight of 389.88 g/mol. Its IUPAC name is (3-chlorophenyl)-[(4R)-4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone.

Molecular Properties

Compound Name(3-chlorophenyl)-[(4R)-4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone
PubChem CID99747845
Molecular FormulaC20H24ClN3O3
Molecular Weight389.88 g/mol
Exact Mass389.15
IUPAC Name(3-chlorophenyl)-[(4R)-4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone
SMILESCC(C)c1nnc([C@H]2CN(C(=O)c3cccc(Cl)c3)CC23CCOCC3)o1
InChIInChI=1S/C20H24ClN3O3/c1-13(2)17-22-23-18(27-17)16-11-24(12-20(16)6-8-26-9-7-20)19(25)14-4-3-5-15(21)10-14/h3-5,10,13,16H,6-9,11-12H2,1-2H3/t16-/m1/s1
InChIKeyYYKSBGBNJKVTQC-MRXNPFEDSA-N
XLogP3.88
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.88
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3-chlorophenyl)-[(4R)-4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)-[(4R)-4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone?
The IUPAC name of (3-chlorophenyl)-[(4R)-4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone (CID 99747845) is (3-chlorophenyl)-[(4R)-4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone.
What is the SMILES notation for (3-chlorophenyl)-[(4R)-4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone?
The canonical SMILES for (3-chlorophenyl)-[(4R)-4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone is CC(C)c1nnc([C@H]2CN(C(=O)c3cccc(Cl)c3)CC23CCOCC3)o1.
What is the InChIKey of (3-chlorophenyl)-[(4R)-4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone?
The InChIKey is YYKSBGBNJKVTQC-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H24ClN3O3/c1-13(2)17-22-23-18(27-17)16-11-24(12-20(16)6-8-26-9-7-20)19(25)14-4-3-5-15(21)10-14/h3-5,10,13,16H,6-9,11-12H2,1-2H3/t16-/m1/s1.
What are the key properties of (3-chlorophenyl)-[(4R)-4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone?
(3-chlorophenyl)-[(4R)-4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone has a molecular weight of 389.88 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)-[(4R)-4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone is sourced from PubChem (CID 99747845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).