(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)-[(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone

C18H25N5O3S — CID 154823234

IUPAC(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)-[(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
SMILESCc1nc(N2CCOCC2)sc1C(=O)N1CCC[C@H]1c1nc(C(C)C)no1
InChIInChI=1S/C18H25N5O3S/c1-11(2)15-20-16(26-21-15)13-5-4-6-23(13)17(24)14-12(3)19-18(27-14)22-7-9-25-10-8-22/h11,13H,4-10H2,1-3H3/t13-/m0/s1
InChIKeyLOSHSUNLODXPNR-ZDUSSCGKSA-N
MW391.50 g/mol
LogP2.77
Rot. Bonds4

About (4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)-[(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone

(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)-[(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone (PubChem CID 154823234) has the molecular formula C18H25N5O3S and a molecular weight of 391.50 g/mol. Its IUPAC name is (4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)-[(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)-[(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
PubChem CID154823234
Molecular FormulaC18H25N5O3S
Molecular Weight391.50 g/mol
Exact Mass391.17
IUPAC Name(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)-[(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
SMILESCc1nc(N2CCOCC2)sc1C(=O)N1CCC[C@H]1c1nc(C(C)C)no1
InChIInChI=1S/C18H25N5O3S/c1-11(2)15-20-16(26-21-15)13-5-4-6-23(13)17(24)14-12(3)19-18(27-14)22-7-9-25-10-8-22/h11,13H,4-10H2,1-3H3/t13-/m0/s1
InChIKeyLOSHSUNLODXPNR-ZDUSSCGKSA-N
XLogP2.77
TPSA84.59 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.50
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze (4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)-[(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone with MolForge

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Related Compounds

[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)methanone
CID 90564393
[(2S)-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methanone
CID 72866866
2-methyl-6-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 70726099
2-(methylamino)-1-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone
CID 56862607
N-cyclopentyl-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide
CID 70772545
(5-methyl-3-phenyl-1,2-oxazol-4-yl)-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 70787503
[(2S)-1-methylsulfonylpyrrolidin-2-yl]-[(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 131930930
(2,6-dimethoxypyrimidin-4-yl)-[(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 95200637
(2-methyl-3H-benzimidazol-5-yl)-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 70740975
3,4-dihydro-2H-chromen-6-yl-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 156609743
1-[(2R)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-3-(3,4,5-trimethylpyrazol-1-yl)propan-1-one
CID 97125030
1H-indazol-3-yl-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 70728158

Frequently Asked Questions

What is the IUPAC name of (4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)-[(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of (4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)-[(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone (CID 154823234) is (4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)-[(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)-[(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)-[(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone is Cc1nc(N2CCOCC2)sc1C(=O)N1CCC[C@H]1c1nc(C(C)C)no1.
What is the InChIKey of (4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)-[(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone?
The InChIKey is LOSHSUNLODXPNR-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H25N5O3S/c1-11(2)15-20-16(26-21-15)13-5-4-6-23(13)17(24)14-12(3)19-18(27-14)22-7-9-25-10-8-22/h11,13H,4-10H2,1-3H3/t13-/m0/s1.
What are the key properties of (4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)-[(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone?
(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)-[(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone has a molecular weight of 391.50 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)-[(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 154823234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).