(2S)-2-(2-chlorophenyl)-5,5-dimethyl-4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)propyl]morpholine

C18H24ClN3O2 — CID 97158511

IUPAC(2S)-2-(2-chlorophenyl)-5,5-dimethyl-4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)propyl]morpholine
SMILESCc1nnc(CCCN2C[C@H](c3ccccc3Cl)OCC2(C)C)o1
InChIInChI=1S/C18H24ClN3O2/c1-13-20-21-17(24-13)9-6-10-22-11-16(23-12-18(22,2)3)14-7-4-5-8-15(14)19/h4-5,7-8,16H,6,9-12H2,1-3H3/t16-/m1/s1
InChIKeySDCAPRHPNRSQBA-MRXNPFEDSA-N
MW349.86 g/mol
LogP3.82
Rot. Bonds5

About (2S)-2-(2-chlorophenyl)-5,5-dimethyl-4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)propyl]morpholine

(2S)-2-(2-chlorophenyl)-5,5-dimethyl-4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)propyl]morpholine (PubChem CID 97158511) has the molecular formula C18H24ClN3O2 and a molecular weight of 349.86 g/mol. Its IUPAC name is (2S)-2-(2-chlorophenyl)-5,5-dimethyl-4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)propyl]morpholine.

Molecular Properties

Compound Name(2S)-2-(2-chlorophenyl)-5,5-dimethyl-4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)propyl]morpholine
PubChem CID97158511
Molecular FormulaC18H24ClN3O2
Molecular Weight349.86 g/mol
Exact Mass349.16
IUPAC Name(2S)-2-(2-chlorophenyl)-5,5-dimethyl-4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)propyl]morpholine
SMILESCc1nnc(CCCN2C[C@H](c3ccccc3Cl)OCC2(C)C)o1
InChIInChI=1S/C18H24ClN3O2/c1-13-20-21-17(24-13)9-6-10-22-11-16(23-12-18(22,2)3)14-7-4-5-8-15(14)19/h4-5,7-8,16H,6,9-12H2,1-3H3/t16-/m1/s1
InChIKeySDCAPRHPNRSQBA-MRXNPFEDSA-N
XLogP3.82
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.86
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-chlorophenyl)-5,5-dimethyl-4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)propyl]morpholine?
The IUPAC name of (2S)-2-(2-chlorophenyl)-5,5-dimethyl-4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)propyl]morpholine (CID 97158511) is (2S)-2-(2-chlorophenyl)-5,5-dimethyl-4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)propyl]morpholine.
What is the SMILES notation for (2S)-2-(2-chlorophenyl)-5,5-dimethyl-4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)propyl]morpholine?
The canonical SMILES for (2S)-2-(2-chlorophenyl)-5,5-dimethyl-4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)propyl]morpholine is Cc1nnc(CCCN2C[C@H](c3ccccc3Cl)OCC2(C)C)o1.
What is the InChIKey of (2S)-2-(2-chlorophenyl)-5,5-dimethyl-4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)propyl]morpholine?
The InChIKey is SDCAPRHPNRSQBA-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H24ClN3O2/c1-13-20-21-17(24-13)9-6-10-22-11-16(23-12-18(22,2)3)14-7-4-5-8-15(14)19/h4-5,7-8,16H,6,9-12H2,1-3H3/t16-/m1/s1.
What are the key properties of (2S)-2-(2-chlorophenyl)-5,5-dimethyl-4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)propyl]morpholine?
(2S)-2-(2-chlorophenyl)-5,5-dimethyl-4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)propyl]morpholine has a molecular weight of 349.86 g/mol, XLogP of 3.82, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-chlorophenyl)-5,5-dimethyl-4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)propyl]morpholine is sourced from PubChem (CID 97158511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).