1-[4-[5-(3-methyl-1,2-oxazol-5-yl)thiadiazol-4-yl]piperidin-1-yl]-2-phenylbutan-1-one

C21H24N4O2S — CID 110242578

IUPAC1-[4-[5-(3-methyl-1,2-oxazol-5-yl)thiadiazol-4-yl]piperidin-1-yl]-2-phenylbutan-1-one
SMILESCCC(C(=O)N1CCC(c2nnsc2-c2cc(C)no2)CC1)c1ccccc1
InChIInChI=1S/C21H24N4O2S/c1-3-17(15-7-5-4-6-8-15)21(26)25-11-9-16(10-12-25)19-20(28-24-22-19)18-13-14(2)23-27-18/h4-8,13,16-17H,3,9-12H2,1-2H3
InChIKeyYMPOUNHUJWCPNP-UHFFFAOYSA-N
MW396.52 g/mol
LogP4.40
Rot. Bonds5

About 1-[4-[5-(3-methyl-1,2-oxazol-5-yl)thiadiazol-4-yl]piperidin-1-yl]-2-phenylbutan-1-one

1-[4-[5-(3-methyl-1,2-oxazol-5-yl)thiadiazol-4-yl]piperidin-1-yl]-2-phenylbutan-1-one (PubChem CID 110242578) has the molecular formula C21H24N4O2S and a molecular weight of 396.52 g/mol. Its IUPAC name is 1-[4-[5-(3-methyl-1,2-oxazol-5-yl)thiadiazol-4-yl]piperidin-1-yl]-2-phenylbutan-1-one.

Molecular Properties

Compound Name1-[4-[5-(3-methyl-1,2-oxazol-5-yl)thiadiazol-4-yl]piperidin-1-yl]-2-phenylbutan-1-one
PubChem CID110242578
Molecular FormulaC21H24N4O2S
Molecular Weight396.52 g/mol
Exact Mass396.16
IUPAC Name1-[4-[5-(3-methyl-1,2-oxazol-5-yl)thiadiazol-4-yl]piperidin-1-yl]-2-phenylbutan-1-one
SMILESCCC(C(=O)N1CCC(c2nnsc2-c2cc(C)no2)CC1)c1ccccc1
InChIInChI=1S/C21H24N4O2S/c1-3-17(15-7-5-4-6-8-15)21(26)25-11-9-16(10-12-25)19-20(28-24-22-19)18-13-14(2)23-27-18/h4-8,13,16-17H,3,9-12H2,1-2H3
InChIKeyYMPOUNHUJWCPNP-UHFFFAOYSA-N
XLogP4.40
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.52
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[4-[5-(3-methyl-1,2-oxazol-5-yl)thiadiazol-4-yl]piperidin-1-yl]-2-phenylbutan-1-one with MolForge

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Related Compounds

cyclopropyl-[(3R)-3-[5-(3-methyl-1,2-oxazol-5-yl)thiadiazol-4-yl]piperidin-1-yl]methanone
CID 95856208
1-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-phenylbutan-1-one
CID 42760385
[3-[5-(3-methyl-1,2-oxazol-5-yl)thiadiazol-4-yl]piperidin-1-yl]-(oxolan-2-yl)methanone
CID 110237217
2-phenyl-1-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]butan-1-one
CID 71792964
(2R)-1-[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-2-phenylbutan-1-one
CID 97427079
N-(2-fluorophenyl)-5-[1-[(2S)-2-phenylbutanoyl]piperidin-4-yl]-1,3,4-thiadiazole-2-carboxamide
CID 92895164
2-hydroxypropane-1,2,3-tricarboxylic acid;3-methyl-5-[4-[1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-4-yl]thiadiazol-5-yl]-1,2-oxazole
CID 171700481
(2S)-1-morpholin-4-yl-2-phenylbutan-1-one
CID 670056
1-(4-cyclopropylidenepiperidin-1-yl)-2-phenylbutan-1-one
CID 121186844
5-[4-[(3S)-1-(cyclohexylmethyl)piperidin-3-yl]thiadiazol-5-yl]-3-methyl-1,2-oxazole
CID 92554129
N-methyl-1-(2-phenylbutanoyl)piperidine-4-carboxamide
CID 43064111
1-[3-(bromomethyl)pyrrolidin-1-yl]-2-phenylbutan-1-one
CID 80667782

Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-(3-methyl-1,2-oxazol-5-yl)thiadiazol-4-yl]piperidin-1-yl]-2-phenylbutan-1-one?
The IUPAC name of 1-[4-[5-(3-methyl-1,2-oxazol-5-yl)thiadiazol-4-yl]piperidin-1-yl]-2-phenylbutan-1-one (CID 110242578) is 1-[4-[5-(3-methyl-1,2-oxazol-5-yl)thiadiazol-4-yl]piperidin-1-yl]-2-phenylbutan-1-one.
What is the SMILES notation for 1-[4-[5-(3-methyl-1,2-oxazol-5-yl)thiadiazol-4-yl]piperidin-1-yl]-2-phenylbutan-1-one?
The canonical SMILES for 1-[4-[5-(3-methyl-1,2-oxazol-5-yl)thiadiazol-4-yl]piperidin-1-yl]-2-phenylbutan-1-one is CCC(C(=O)N1CCC(c2nnsc2-c2cc(C)no2)CC1)c1ccccc1.
What is the InChIKey of 1-[4-[5-(3-methyl-1,2-oxazol-5-yl)thiadiazol-4-yl]piperidin-1-yl]-2-phenylbutan-1-one?
The InChIKey is YMPOUNHUJWCPNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2S/c1-3-17(15-7-5-4-6-8-15)21(26)25-11-9-16(10-12-25)19-20(28-24-22-19)18-13-14(2)23-27-18/h4-8,13,16-17H,3,9-12H2,1-2H3.
What are the key properties of 1-[4-[5-(3-methyl-1,2-oxazol-5-yl)thiadiazol-4-yl]piperidin-1-yl]-2-phenylbutan-1-one?
1-[4-[5-(3-methyl-1,2-oxazol-5-yl)thiadiazol-4-yl]piperidin-1-yl]-2-phenylbutan-1-one has a molecular weight of 396.52 g/mol, XLogP of 4.40, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-(3-methyl-1,2-oxazol-5-yl)thiadiazol-4-yl]piperidin-1-yl]-2-phenylbutan-1-one is sourced from PubChem (CID 110242578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).