[1-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazol-4-yl]-thiomorpholin-4-ylmethanone

C18H20N6O2S — CID 53178781

IUPAC[1-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazol-4-yl]-thiomorpholin-4-ylmethanone
SMILESCC(C)c1noc(-c2ccnc(-n3cnc(C(=O)N4CCSCC4)c3)c2)n1
InChIInChI=1S/C18H20N6O2S/c1-12(2)16-21-17(26-22-16)13-3-4-19-15(9-13)24-10-14(20-11-24)18(25)23-5-7-27-8-6-23/h3-4,9-12H,5-8H2,1-2H3
InChIKeyKCJRMXNAJYQEQW-UHFFFAOYSA-N
MW384.47 g/mol
LogP2.63
Rot. Bonds4

About [1-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazol-4-yl]-thiomorpholin-4-ylmethanone

[1-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazol-4-yl]-thiomorpholin-4-ylmethanone (PubChem CID 53178781) has the molecular formula C18H20N6O2S and a molecular weight of 384.47 g/mol. Its IUPAC name is [1-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazol-4-yl]-thiomorpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazol-4-yl]-thiomorpholin-4-ylmethanone
PubChem CID53178781
Molecular FormulaC18H20N6O2S
Molecular Weight384.47 g/mol
Exact Mass384.14
IUPAC Name[1-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazol-4-yl]-thiomorpholin-4-ylmethanone
SMILESCC(C)c1noc(-c2ccnc(-n3cnc(C(=O)N4CCSCC4)c3)c2)n1
InChIInChI=1S/C18H20N6O2S/c1-12(2)16-21-17(26-22-16)13-3-4-19-15(9-13)24-10-14(20-11-24)18(25)23-5-7-27-8-6-23/h3-4,9-12H,5-8H2,1-2H3
InChIKeyKCJRMXNAJYQEQW-UHFFFAOYSA-N
XLogP2.63
TPSA89.94 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.47
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

N-[(2R)-butan-2-yl]-1-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide
CID 95104418
N-[(2S)-butan-2-yl]-1-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide
CID 95104419
[1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazol-4-yl]-morpholin-4-ylmethanone
CID 53178647
N-cyclohexyl-1-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide
CID 53178762
N-[(4-ethylphenyl)methyl]-1-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide
CID 53489966
N-[[(2S)-oxolan-2-yl]methyl]-1-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide
CID 95104422
[1-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazol-4-yl]-[4-(2,5-dimethylphenyl)piperazin-1-yl]methanone
CID 53489733
methyl 4-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperazine-1-carboxylate
CID 133319821
1-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-propan-2-ylimidazole-4-carboxamide
CID 53178659
(2S)-1-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrrolidine-2-carboxylic acid
CID 122059747
1-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-cyclopropylimidazole-4-carboxamide
CID 53178733
1-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[(4-propan-2-ylphenyl)methyl]imidazole-4-carboxamide
CID 53489878

Frequently Asked Questions

What is the IUPAC name of [1-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazol-4-yl]-thiomorpholin-4-ylmethanone?
The IUPAC name of [1-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazol-4-yl]-thiomorpholin-4-ylmethanone (CID 53178781) is [1-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazol-4-yl]-thiomorpholin-4-ylmethanone.
What is the SMILES notation for [1-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazol-4-yl]-thiomorpholin-4-ylmethanone?
The canonical SMILES for [1-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazol-4-yl]-thiomorpholin-4-ylmethanone is CC(C)c1noc(-c2ccnc(-n3cnc(C(=O)N4CCSCC4)c3)c2)n1.
What is the InChIKey of [1-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazol-4-yl]-thiomorpholin-4-ylmethanone?
The InChIKey is KCJRMXNAJYQEQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O2S/c1-12(2)16-21-17(26-22-16)13-3-4-19-15(9-13)24-10-14(20-11-24)18(25)23-5-7-27-8-6-23/h3-4,9-12H,5-8H2,1-2H3.
What are the key properties of [1-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazol-4-yl]-thiomorpholin-4-ylmethanone?
[1-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazol-4-yl]-thiomorpholin-4-ylmethanone has a molecular weight of 384.47 g/mol, XLogP of 2.63, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazol-4-yl]-thiomorpholin-4-ylmethanone is sourced from PubChem (CID 53178781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).