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

C15H18ClN3O2 — CID 167878298

IUPAC4-[(1S)-1-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]morpholine
SMILESC[C@@H](c1nc(Cc2ccccc2Cl)no1)N1CCOCC1
InChIInChI=1S/C15H18ClN3O2/c1-11(19-6-8-20-9-7-19)15-17-14(18-21-15)10-12-4-2-3-5-13(12)16/h2-5,11H,6-10H2,1H3/t11-/m0/s1
InChIKeySPCLSVPSHMEFAC-NSHDSACASA-N
MW307.78 g/mol
LogP2.71
Rot. Bonds4

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

4-[(1S)-1-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]morpholine (PubChem CID 167878298) has the molecular formula C15H18ClN3O2 and a molecular weight of 307.78 g/mol. Its IUPAC name is 4-[(1S)-1-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]morpholine.

Molecular Properties

Compound Name4-[(1S)-1-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]morpholine
PubChem CID167878298
Molecular FormulaC15H18ClN3O2
Molecular Weight307.78 g/mol
Exact Mass307.11
IUPAC Name4-[(1S)-1-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]morpholine
SMILESC[C@@H](c1nc(Cc2ccccc2Cl)no1)N1CCOCC1
InChIInChI=1S/C15H18ClN3O2/c1-11(19-6-8-20-9-7-19)15-17-14(18-21-15)10-12-4-2-3-5-13(12)16/h2-5,11H,6-10H2,1H3/t11-/m0/s1
InChIKeySPCLSVPSHMEFAC-NSHDSACASA-N
XLogP2.71
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(1S)-1-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]morpholine?
The IUPAC name of 4-[(1S)-1-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]morpholine (CID 167878298) is 4-[(1S)-1-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]morpholine.
What is the SMILES notation for 4-[(1S)-1-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]morpholine?
The canonical SMILES for 4-[(1S)-1-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]morpholine is C[C@@H](c1nc(Cc2ccccc2Cl)no1)N1CCOCC1.
What is the InChIKey of 4-[(1S)-1-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]morpholine?
The InChIKey is SPCLSVPSHMEFAC-NSHDSACASA-N. The full InChI is InChI=1S/C15H18ClN3O2/c1-11(19-6-8-20-9-7-19)15-17-14(18-21-15)10-12-4-2-3-5-13(12)16/h2-5,11H,6-10H2,1H3/t11-/m0/s1.
What are the key properties of 4-[(1S)-1-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]morpholine?
4-[(1S)-1-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]morpholine has a molecular weight of 307.78 g/mol, XLogP of 2.71, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S)-1-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]morpholine is sourced from PubChem (CID 167878298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).