(2S)-2-[5-[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-1,3,4-oxadiazol-2-yl]-4-methylsulfonylmorpholine

C16H18FN3O4S — CID 129342332

IUPAC(2S)-2-[5-[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-1,3,4-oxadiazol-2-yl]-4-methylsulfonylmorpholine
SMILESCS(=O)(=O)N1CCO[C@H](c2nnc([C@@H]3C[C@@H]3c3cccc(F)c3)o2)C1
InChIInChI=1S/C16H18FN3O4S/c1-25(21,22)20-5-6-23-14(9-20)16-19-18-15(24-16)13-8-12(13)10-3-2-4-11(17)7-10/h2-4,7,12-14H,5-6,8-9H2,1H3/t12-,13-,14+/m1/s1
InChIKeySVZLNMBBFZWNNI-MCIONIFRSA-N
MW367.40 g/mol
LogP1.81
Rot. Bonds4

About (2S)-2-[5-[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-1,3,4-oxadiazol-2-yl]-4-methylsulfonylmorpholine

(2S)-2-[5-[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-1,3,4-oxadiazol-2-yl]-4-methylsulfonylmorpholine (PubChem CID 129342332) has the molecular formula C16H18FN3O4S and a molecular weight of 367.40 g/mol. Its IUPAC name is (2S)-2-[5-[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-1,3,4-oxadiazol-2-yl]-4-methylsulfonylmorpholine.

Molecular Properties

Compound Name(2S)-2-[5-[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-1,3,4-oxadiazol-2-yl]-4-methylsulfonylmorpholine
PubChem CID129342332
Molecular FormulaC16H18FN3O4S
Molecular Weight367.40 g/mol
Exact Mass367.10
IUPAC Name(2S)-2-[5-[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-1,3,4-oxadiazol-2-yl]-4-methylsulfonylmorpholine
SMILESCS(=O)(=O)N1CCO[C@H](c2nnc([C@@H]3C[C@@H]3c3cccc(F)c3)o2)C1
InChIInChI=1S/C16H18FN3O4S/c1-25(21,22)20-5-6-23-14(9-20)16-19-18-15(24-16)13-8-12(13)10-3-2-4-11(17)7-10/h2-4,7,12-14H,5-6,8-9H2,1H3/t12-,13-,14+/m1/s1
InChIKeySVZLNMBBFZWNNI-MCIONIFRSA-N
XLogP1.81
TPSA85.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.40
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-2-[5-[(2R)-7-fluoro-2,3-dihydro-1-benzofuran-2-yl]-1,3,4-oxadiazol-2-yl]-4-methylsulfonylmorpholine
CID 129337421
(2S)-2-[5-[2-(4-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]-4-methylsulfonylmorpholine
CID 129335247
(2R)-2-[5-[1-(4-fluorophenyl)cyclopropyl]-1,3,4-oxadiazol-2-yl]-4-methylsulfonylmorpholine
CID 129342477
(2R)-2-[5-[(2,6-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]-4-methylsulfonylmorpholine
CID 129342891
(2S)-4-methylsulfonyl-2-[5-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]-1,3,4-oxadiazol-2-yl]morpholine
CID 129339684
2-(3-bromophenyl)-4-methylsulfonylmorpholine
CID 110364445
(2R)-2-[5-[(1R)-3,4-dihydro-1H-isothiochromen-1-yl]-1,3,4-oxadiazol-2-yl]-4-methylsulfonylmorpholine
CID 129335477
2-(3-fluorophenyl)-4-methylmorpholine
CID 77271439
2-[5-(2,3-dihydro-1H-inden-1-ylmethyl)-1,3,4-oxadiazol-2-yl]-4-methylsulfonylmorpholine
CID 129007020
(2R)-2-[5-[[(1R)-2,3-dihydro-1H-inden-1-yl]methyl]-1,3,4-oxadiazol-2-yl]-4-methylsulfonylmorpholine
CID 129343793
(2R)-2-[5-[[(1S,3R)-3-methylcyclohexyl]oxymethyl]-1,3,4-oxadiazol-2-yl]-4-methylsulfonylmorpholine
CID 129332397
(2S)-4-(3-fluorophenyl)sulfonyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine
CID 92575837

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[5-[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-1,3,4-oxadiazol-2-yl]-4-methylsulfonylmorpholine?
The IUPAC name of (2S)-2-[5-[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-1,3,4-oxadiazol-2-yl]-4-methylsulfonylmorpholine (CID 129342332) is (2S)-2-[5-[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-1,3,4-oxadiazol-2-yl]-4-methylsulfonylmorpholine.
What is the SMILES notation for (2S)-2-[5-[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-1,3,4-oxadiazol-2-yl]-4-methylsulfonylmorpholine?
The canonical SMILES for (2S)-2-[5-[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-1,3,4-oxadiazol-2-yl]-4-methylsulfonylmorpholine is CS(=O)(=O)N1CCO[C@H](c2nnc([C@@H]3C[C@@H]3c3cccc(F)c3)o2)C1.
What is the InChIKey of (2S)-2-[5-[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-1,3,4-oxadiazol-2-yl]-4-methylsulfonylmorpholine?
The InChIKey is SVZLNMBBFZWNNI-MCIONIFRSA-N. The full InChI is InChI=1S/C16H18FN3O4S/c1-25(21,22)20-5-6-23-14(9-20)16-19-18-15(24-16)13-8-12(13)10-3-2-4-11(17)7-10/h2-4,7,12-14H,5-6,8-9H2,1H3/t12-,13-,14+/m1/s1.
What are the key properties of (2S)-2-[5-[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-1,3,4-oxadiazol-2-yl]-4-methylsulfonylmorpholine?
(2S)-2-[5-[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-1,3,4-oxadiazol-2-yl]-4-methylsulfonylmorpholine has a molecular weight of 367.40 g/mol, XLogP of 1.81, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[5-[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-1,3,4-oxadiazol-2-yl]-4-methylsulfonylmorpholine is sourced from PubChem (CID 129342332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).