2-(2-chlorophenyl)-1-[(3S)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]ethanone

C17H20ClN3O3 — CID 97345225

IUPAC2-(2-chlorophenyl)-1-[(3S)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]ethanone
SMILESCC(C)c1nc([C@H]2COCCN2C(=O)Cc2ccccc2Cl)no1
InChIInChI=1S/C17H20ClN3O3/c1-11(2)17-19-16(20-24-17)14-10-23-8-7-21(14)15(22)9-12-5-3-4-6-13(12)18/h3-6,11,14H,7-10H2,1-2H3/t14-/m1/s1
InChIKeyHNNLTZNGTFVULG-CQSZACIVSA-N
MW349.82 g/mol
LogP2.99
Rot. Bonds4

About 2-(2-chlorophenyl)-1-[(3S)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]ethanone

2-(2-chlorophenyl)-1-[(3S)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]ethanone (PubChem CID 97345225) has the molecular formula C17H20ClN3O3 and a molecular weight of 349.82 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-1-[(3S)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]ethanone.

Molecular Properties

Compound Name2-(2-chlorophenyl)-1-[(3S)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]ethanone
PubChem CID97345225
Molecular FormulaC17H20ClN3O3
Molecular Weight349.82 g/mol
Exact Mass349.12
IUPAC Name2-(2-chlorophenyl)-1-[(3S)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]ethanone
SMILESCC(C)c1nc([C@H]2COCCN2C(=O)Cc2ccccc2Cl)no1
InChIInChI=1S/C17H20ClN3O3/c1-11(2)17-19-16(20-24-17)14-10-23-8-7-21(14)15(22)9-12-5-3-4-6-13(12)18/h3-6,11,14H,7-10H2,1-2H3/t14-/m1/s1
InChIKeyHNNLTZNGTFVULG-CQSZACIVSA-N
XLogP2.99
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 ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-phenyl-1-[3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]propan-1-one
CID 75474925
N,N-diethyl-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholine-4-carboxamide
CID 75484023
(3S)-4-(2-chlorophenyl)sulfonyl-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholine
CID 97344824
N-(3-ethylphenyl)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholine-4-carboxamide
CID 75473994
(E)-3-(3-methoxyphenyl)-1-[3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]prop-2-en-1-one
CID 75474922
2-(1H-indol-3-yl)-1-[(2R)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethanone
CID 95779559
2-(2-chlorophenyl)-1-[2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone
CID 50809306
1-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]morpholin-4-yl]-2-naphthalen-2-ylethanone
CID 75474958
(2S)-4-[(2-chlorophenyl)methylsulfonyl]-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholine
CID 97344782
2-phenyl-1-[3-[4-(propan-2-ylamino)pyrimidin-2-yl]morpholin-4-yl]ethanone
CID 131657179
2-indol-1-yl-1-[(2S)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethanone
CID 95779588
2-(2,3-dihydro-1H-inden-5-yl)-1-[(2S)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethanone
CID 95779584

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-1-[(3S)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]ethanone?
The IUPAC name of 2-(2-chlorophenyl)-1-[(3S)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]ethanone (CID 97345225) is 2-(2-chlorophenyl)-1-[(3S)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]ethanone.
What is the SMILES notation for 2-(2-chlorophenyl)-1-[(3S)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]ethanone?
The canonical SMILES for 2-(2-chlorophenyl)-1-[(3S)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]ethanone is CC(C)c1nc([C@H]2COCCN2C(=O)Cc2ccccc2Cl)no1.
What is the InChIKey of 2-(2-chlorophenyl)-1-[(3S)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]ethanone?
The InChIKey is HNNLTZNGTFVULG-CQSZACIVSA-N. The full InChI is InChI=1S/C17H20ClN3O3/c1-11(2)17-19-16(20-24-17)14-10-23-8-7-21(14)15(22)9-12-5-3-4-6-13(12)18/h3-6,11,14H,7-10H2,1-2H3/t14-/m1/s1.
What are the key properties of 2-(2-chlorophenyl)-1-[(3S)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]ethanone?
2-(2-chlorophenyl)-1-[(3S)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]ethanone has a molecular weight of 349.82 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-1-[(3S)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]ethanone is sourced from PubChem (CID 97345225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).