3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1-[(2R,5R)-2,5-dimethylmorpholin-4-yl]propan-1-one

C17H20ClN3O3 — CID 96509441

IUPAC3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1-[(2R,5R)-2,5-dimethylmorpholin-4-yl]propan-1-one
SMILESC[C@@H]1CN(C(=O)CCc2nnc(-c3ccc(Cl)cc3)o2)[C@H](C)CO1
InChIInChI=1S/C17H20ClN3O3/c1-11-10-23-12(2)9-21(11)16(22)8-7-15-19-20-17(24-15)13-3-5-14(18)6-4-13/h3-6,11-12H,7-10H2,1-2H3/t11-,12-/m1/s1
InChIKeyXCVQKYMECNQEOQ-VXGBXAGGSA-N
MW349.82 g/mol
LogP2.96
Rot. Bonds4

About 3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1-[(2R,5R)-2,5-dimethylmorpholin-4-yl]propan-1-one

3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1-[(2R,5R)-2,5-dimethylmorpholin-4-yl]propan-1-one (PubChem CID 96509441) has the molecular formula C17H20ClN3O3 and a molecular weight of 349.82 g/mol. Its IUPAC name is 3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1-[(2R,5R)-2,5-dimethylmorpholin-4-yl]propan-1-one.

Molecular Properties

Compound Name3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1-[(2R,5R)-2,5-dimethylmorpholin-4-yl]propan-1-one
PubChem CID96509441
Molecular FormulaC17H20ClN3O3
Molecular Weight349.82 g/mol
Exact Mass349.12
IUPAC Name3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1-[(2R,5R)-2,5-dimethylmorpholin-4-yl]propan-1-one
SMILESC[C@@H]1CN(C(=O)CCc2nnc(-c3ccc(Cl)cc3)o2)[C@H](C)CO1
InChIInChI=1S/C17H20ClN3O3/c1-11-10-23-12(2)9-21(11)16(22)8-7-15-19-20-17(24-15)13-3-5-14(18)6-4-13/h3-6,11-12H,7-10H2,1-2H3/t11-,12-/m1/s1
InChIKeyXCVQKYMECNQEOQ-VXGBXAGGSA-N
XLogP2.96
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.82
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1-[(2R,5R)-2,5-dimethylmorpholin-4-yl]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propan-1-one
CID 86934595
3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1-(3-methylpiperidin-1-yl)propan-1-one
CID 110334636
methyl (1R,2S,5S)-3-[3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]propanoyl]-3-azabicyclo[3.2.0]heptane-2-carboxylate
CID 167947662
(4-chlorophenyl) 3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanoate
CID 134049813
1-[(2R,5R)-2,5-dimethylmorpholin-4-yl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 94051397
(3S)-1,3-dimethyl-4-[3-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]propanoyl]piperazin-2-one
CID 25282912
(2R,6R)-4-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2,6-dimethylmorpholine
CID 31476823
N-(4-chlorophenyl)-3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334653
3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-1-(4-methylpiperidin-1-yl)propan-1-one
CID 110333959
1-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propan-1-one
CID 8950170
3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]propanamide
CID 96509436
1-[3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoyl]-6-methylpiperidine-3-carboxylic acid
CID 122113304

Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1-[(2R,5R)-2,5-dimethylmorpholin-4-yl]propan-1-one?
The IUPAC name of 3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1-[(2R,5R)-2,5-dimethylmorpholin-4-yl]propan-1-one (CID 96509441) is 3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1-[(2R,5R)-2,5-dimethylmorpholin-4-yl]propan-1-one.
What is the SMILES notation for 3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1-[(2R,5R)-2,5-dimethylmorpholin-4-yl]propan-1-one?
The canonical SMILES for 3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1-[(2R,5R)-2,5-dimethylmorpholin-4-yl]propan-1-one is C[C@@H]1CN(C(=O)CCc2nnc(-c3ccc(Cl)cc3)o2)[C@H](C)CO1.
What is the InChIKey of 3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1-[(2R,5R)-2,5-dimethylmorpholin-4-yl]propan-1-one?
The InChIKey is XCVQKYMECNQEOQ-VXGBXAGGSA-N. The full InChI is InChI=1S/C17H20ClN3O3/c1-11-10-23-12(2)9-21(11)16(22)8-7-15-19-20-17(24-15)13-3-5-14(18)6-4-13/h3-6,11-12H,7-10H2,1-2H3/t11-,12-/m1/s1.
What are the key properties of 3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1-[(2R,5R)-2,5-dimethylmorpholin-4-yl]propan-1-one?
3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1-[(2R,5R)-2,5-dimethylmorpholin-4-yl]propan-1-one has a molecular weight of 349.82 g/mol, XLogP of 2.96, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1-[(2R,5R)-2,5-dimethylmorpholin-4-yl]propan-1-one is sourced from PubChem (CID 96509441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).