1-[(2S,5R)-2-(3-chlorophenyl)-5-methylmorpholin-4-yl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethanone

C16H18ClN3O3 — CID 124619662

IUPAC1-[(2S,5R)-2-(3-chlorophenyl)-5-methylmorpholin-4-yl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethanone
SMILESCc1nnc(CC(=O)N2C[C@H](c3cccc(Cl)c3)OC[C@H]2C)o1
InChIInChI=1S/C16H18ClN3O3/c1-10-9-22-14(12-4-3-5-13(17)6-12)8-20(10)16(21)7-15-19-18-11(2)23-15/h3-6,10,14H,7-9H2,1-2H3/t10-,14-/m1/s1
InChIKeyDHKDUSIERSOTSF-QMTHXVAHSA-N
MW335.79 g/mol
LogP2.56
Rot. Bonds3

About 1-[(2S,5R)-2-(3-chlorophenyl)-5-methylmorpholin-4-yl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethanone

1-[(2S,5R)-2-(3-chlorophenyl)-5-methylmorpholin-4-yl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethanone (PubChem CID 124619662) has the molecular formula C16H18ClN3O3 and a molecular weight of 335.79 g/mol. Its IUPAC name is 1-[(2S,5R)-2-(3-chlorophenyl)-5-methylmorpholin-4-yl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethanone.

Molecular Properties

Compound Name1-[(2S,5R)-2-(3-chlorophenyl)-5-methylmorpholin-4-yl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethanone
PubChem CID124619662
Molecular FormulaC16H18ClN3O3
Molecular Weight335.79 g/mol
Exact Mass335.10
IUPAC Name1-[(2S,5R)-2-(3-chlorophenyl)-5-methylmorpholin-4-yl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethanone
SMILESCc1nnc(CC(=O)N2C[C@H](c3cccc(Cl)c3)OC[C@H]2C)o1
InChIInChI=1S/C16H18ClN3O3/c1-10-9-22-14(12-4-3-5-13(17)6-12)8-20(10)16(21)7-15-19-18-11(2)23-15/h3-6,10,14H,7-9H2,1-2H3/t10-,14-/m1/s1
InChIKeyDHKDUSIERSOTSF-QMTHXVAHSA-N
XLogP2.56
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.79
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2S,5R)-2-(3-chlorophenyl)-5-methylmorpholin-4-yl]-2-pyridin-4-ylethanone
CID 124619076
1-[(2R,5S)-2-(3-chlorophenyl)-5-methylmorpholin-4-yl]-2-pyridin-4-ylethanone
CID 124619075
1-[2-(3-chlorophenyl)-5-methylmorpholin-4-yl]-2-fluoroprop-2-en-1-one
CID 166417422
[(2S,5R)-2-(3-chlorophenyl)-5-methylmorpholin-4-yl]-(1,3-thiazol-4-yl)methanone
CID 99823473
(4S)-4-[(2R,5R)-2-(3-chlorophenyl)-5-methylmorpholine-4-carbonyl]pyrrolidin-2-one
CID 124729288
N-(3-chlorophenyl)-5-methyl-2-phenylmorpholine-4-carboxamide
CID 110369345
1-[(2R,5R)-5-methyl-2-phenylmorpholin-4-yl]-2-(3-methyl-4-pyridinyl)ethanone
CID 124619460
5-[2-(3-chlorophenyl)-5-methylmorpholine-4-carbonyl]-1H-pyrrole-3-carbonitrile
CID 119034470
2-(4-fluorophenyl)-1-(5-methyl-2-phenylmorpholin-4-yl)ethanone
CID 110369331
2-(3-chlorophenyl)-4-(5,6-dimethyl-1,2,4-triazin-3-yl)-5-methylmorpholine
CID 122147461
(2R,5S)-2-(3-chlorophenyl)-N,N,5-trimethylmorpholine-4-sulfonamide
CID 99825537
(2R,5R)-2-(3-chlorophenyl)-N,N,5-trimethylmorpholine-4-sulfonamide
CID 99825536

Frequently Asked Questions

What is the IUPAC name of 1-[(2S,5R)-2-(3-chlorophenyl)-5-methylmorpholin-4-yl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethanone?
The IUPAC name of 1-[(2S,5R)-2-(3-chlorophenyl)-5-methylmorpholin-4-yl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethanone (CID 124619662) is 1-[(2S,5R)-2-(3-chlorophenyl)-5-methylmorpholin-4-yl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethanone.
What is the SMILES notation for 1-[(2S,5R)-2-(3-chlorophenyl)-5-methylmorpholin-4-yl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethanone?
The canonical SMILES for 1-[(2S,5R)-2-(3-chlorophenyl)-5-methylmorpholin-4-yl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethanone is Cc1nnc(CC(=O)N2C[C@H](c3cccc(Cl)c3)OC[C@H]2C)o1.
What is the InChIKey of 1-[(2S,5R)-2-(3-chlorophenyl)-5-methylmorpholin-4-yl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethanone?
The InChIKey is DHKDUSIERSOTSF-QMTHXVAHSA-N. The full InChI is InChI=1S/C16H18ClN3O3/c1-10-9-22-14(12-4-3-5-13(17)6-12)8-20(10)16(21)7-15-19-18-11(2)23-15/h3-6,10,14H,7-9H2,1-2H3/t10-,14-/m1/s1.
What are the key properties of 1-[(2S,5R)-2-(3-chlorophenyl)-5-methylmorpholin-4-yl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethanone?
1-[(2S,5R)-2-(3-chlorophenyl)-5-methylmorpholin-4-yl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethanone has a molecular weight of 335.79 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,5R)-2-(3-chlorophenyl)-5-methylmorpholin-4-yl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethanone is sourced from PubChem (CID 124619662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).