[4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-propan-2-ylpyrazol-1-yl]phenyl]-thiomorpholin-4-ylmethanone

C20H23N5O2S — CID 46086317

IUPAC[4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-propan-2-ylpyrazol-1-yl]phenyl]-thiomorpholin-4-ylmethanone
SMILESCc1nnc(-c2cc(C(C)C)n(-c3ccc(C(=O)N4CCSCC4)cc3)n2)o1
InChIInChI=1S/C20H23N5O2S/c1-13(2)18-12-17(19-22-21-14(3)27-19)23-25(18)16-6-4-15(5-7-16)20(26)24-8-10-28-11-9-24/h4-7,12-13H,8-11H2,1-3H3
InChIKeyYOMHXBCHPSLICI-UHFFFAOYSA-N
MW397.50 g/mol
LogP3.54
Rot. Bonds4

About [4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-propan-2-ylpyrazol-1-yl]phenyl]-thiomorpholin-4-ylmethanone

[4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-propan-2-ylpyrazol-1-yl]phenyl]-thiomorpholin-4-ylmethanone (PubChem CID 46086317) has the molecular formula C20H23N5O2S and a molecular weight of 397.50 g/mol. Its IUPAC name is [4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-propan-2-ylpyrazol-1-yl]phenyl]-thiomorpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-propan-2-ylpyrazol-1-yl]phenyl]-thiomorpholin-4-ylmethanone
PubChem CID46086317
Molecular FormulaC20H23N5O2S
Molecular Weight397.50 g/mol
Exact Mass397.16
IUPAC Name[4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-propan-2-ylpyrazol-1-yl]phenyl]-thiomorpholin-4-ylmethanone
SMILESCc1nnc(-c2cc(C(C)C)n(-c3ccc(C(=O)N4CCSCC4)cc3)n2)o1
InChIInChI=1S/C20H23N5O2S/c1-13(2)18-12-17(19-22-21-14(3)27-19)23-25(18)16-6-4-15(5-7-16)20(26)24-8-10-28-11-9-24/h4-7,12-13H,8-11H2,1-3H3
InChIKeyYOMHXBCHPSLICI-UHFFFAOYSA-N
XLogP3.54
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-propan-2-ylpyrazol-1-yl]phenyl]-(3-methylpiperidin-1-yl)methanone
CID 46086282
3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-propan-2-ylpyrazol-1-yl]-N-(2-thiophen-2-ylethyl)benzamide
CID 46086639
N-[(1R)-1-(4-bromophenyl)ethyl]-3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-propan-2-ylpyrazol-1-yl]benzamide
CID 92819702
1-[4-(thiomorpholine-4-carbonyl)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid
CID 119180207
4-[5-tert-butyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]-N-ethylbenzamide
CID 46086388
(4-ethylpiperazin-1-yl)-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methanone
CID 110693173
[4-[4-chloro-5-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]phenyl]-[(3S)-3-methylpiperidin-1-yl]methanone
CID 92768506
[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-pyrrolidin-1-ylmethanone
CID 155948637
2-methyl-N-[1-phenyl-3-(thiomorpholine-4-carbonyl)pyrazol-5-yl]propanamide
CID 51998439
1-(4-methylphenyl)-5-propan-2-ylpyrazole-3-carboxylic acid
CID 22831933
azocan-1-yl-[4-(5-methylpyrazol-1-yl)phenyl]methanone
CID 17395851
azepan-1-yl-[4-(5-methylpyrazol-1-yl)phenyl]methanone
CID 9036784

Frequently Asked Questions

What is the IUPAC name of [4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-propan-2-ylpyrazol-1-yl]phenyl]-thiomorpholin-4-ylmethanone?
The IUPAC name of [4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-propan-2-ylpyrazol-1-yl]phenyl]-thiomorpholin-4-ylmethanone (CID 46086317) is [4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-propan-2-ylpyrazol-1-yl]phenyl]-thiomorpholin-4-ylmethanone.
What is the SMILES notation for [4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-propan-2-ylpyrazol-1-yl]phenyl]-thiomorpholin-4-ylmethanone?
The canonical SMILES for [4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-propan-2-ylpyrazol-1-yl]phenyl]-thiomorpholin-4-ylmethanone is Cc1nnc(-c2cc(C(C)C)n(-c3ccc(C(=O)N4CCSCC4)cc3)n2)o1.
What is the InChIKey of [4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-propan-2-ylpyrazol-1-yl]phenyl]-thiomorpholin-4-ylmethanone?
The InChIKey is YOMHXBCHPSLICI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2S/c1-13(2)18-12-17(19-22-21-14(3)27-19)23-25(18)16-6-4-15(5-7-16)20(26)24-8-10-28-11-9-24/h4-7,12-13H,8-11H2,1-3H3.
What are the key properties of [4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-propan-2-ylpyrazol-1-yl]phenyl]-thiomorpholin-4-ylmethanone?
[4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-propan-2-ylpyrazol-1-yl]phenyl]-thiomorpholin-4-ylmethanone has a molecular weight of 397.50 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-propan-2-ylpyrazol-1-yl]phenyl]-thiomorpholin-4-ylmethanone is sourced from PubChem (CID 46086317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).