(2R)-2-cyclopropyl-1-[(2S)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-2-phenylethanone

C18H21N3O3 — CID 129327530

IUPAC(2R)-2-cyclopropyl-1-[(2S)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-2-phenylethanone
SMILESCc1nnc([C@@H]2CN(C(=O)[C@@H](c3ccccc3)C3CC3)CCO2)o1
InChIInChI=1S/C18H21N3O3/c1-12-19-20-17(24-12)15-11-21(9-10-23-15)18(22)16(14-7-8-14)13-5-3-2-4-6-13/h2-6,14-16H,7-11H2,1H3/t15-,16-/m0/s1
InChIKeyVBMNDWQTCWAPLN-HOTGVXAUSA-N
MW327.38 g/mol
LogP2.47
Rot. Bonds4

About (2R)-2-cyclopropyl-1-[(2S)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-2-phenylethanone

(2R)-2-cyclopropyl-1-[(2S)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-2-phenylethanone (PubChem CID 129327530) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is (2R)-2-cyclopropyl-1-[(2S)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-2-phenylethanone.

Molecular Properties

Compound Name(2R)-2-cyclopropyl-1-[(2S)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-2-phenylethanone
PubChem CID129327530
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name(2R)-2-cyclopropyl-1-[(2S)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-2-phenylethanone
SMILESCc1nnc([C@@H]2CN(C(=O)[C@@H](c3ccccc3)C3CC3)CCO2)o1
InChIInChI=1S/C18H21N3O3/c1-12-19-20-17(24-12)15-11-21(9-10-23-15)18(22)16(14-7-8-14)13-5-3-2-4-6-13/h2-6,14-16H,7-11H2,1H3/t15-,16-/m0/s1
InChIKeyVBMNDWQTCWAPLN-HOTGVXAUSA-N
XLogP2.47
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[ethyl(methyl)amino]-1-[2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-2-phenylethanone
CID 128993074
(2S)-2-cyclopropyl-1-[(2R)-2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]-2-phenylethanone
CID 129328732
(2S)-2-(dimethylamino)-1-[(2S)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-3-phenylpropan-1-one
CID 129326546
(2S)-2-cyclopropyl-1-[(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-2-phenylethanone
CID 129334593
(2S)-2-(2,3-dihydroindol-1-yl)-1-[(2S)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]propan-1-one
CID 129326095
(1-benzylcyclobutyl)-[2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone
CID 128998146
(3-methyl-1-benzofuran-2-yl)-[(2S)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone
CID 129325788
(2S)-2-(5-chlorothiophen-2-yl)-1-[(2S)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]propan-1-one
CID 129327130
(E)-1-[2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-5-phenylpent-4-en-1-one
CID 129001830
2-(2-methylbenzimidazol-1-yl)-1-[(2S)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]ethanone
CID 129325955
2-[(1S)-2,3-dihydro-1H-inden-1-yl]-1-[(2R)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]ethanone
CID 129327260
2-[(1R)-2,3-dihydro-1H-inden-1-yl]-1-[(2S)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]ethanone
CID 129327262

Frequently Asked Questions

What is the IUPAC name of (2R)-2-cyclopropyl-1-[(2S)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-2-phenylethanone?
The IUPAC name of (2R)-2-cyclopropyl-1-[(2S)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-2-phenylethanone (CID 129327530) is (2R)-2-cyclopropyl-1-[(2S)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-2-phenylethanone.
What is the SMILES notation for (2R)-2-cyclopropyl-1-[(2S)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-2-phenylethanone?
The canonical SMILES for (2R)-2-cyclopropyl-1-[(2S)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-2-phenylethanone is Cc1nnc([C@@H]2CN(C(=O)[C@@H](c3ccccc3)C3CC3)CCO2)o1.
What is the InChIKey of (2R)-2-cyclopropyl-1-[(2S)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-2-phenylethanone?
The InChIKey is VBMNDWQTCWAPLN-HOTGVXAUSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-12-19-20-17(24-12)15-11-21(9-10-23-15)18(22)16(14-7-8-14)13-5-3-2-4-6-13/h2-6,14-16H,7-11H2,1H3/t15-,16-/m0/s1.
What are the key properties of (2R)-2-cyclopropyl-1-[(2S)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-2-phenylethanone?
(2R)-2-cyclopropyl-1-[(2S)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-2-phenylethanone has a molecular weight of 327.38 g/mol, XLogP of 2.47, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-cyclopropyl-1-[(2S)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-2-phenylethanone is sourced from PubChem (CID 129327530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).