2-(furan-2-yl)-5-methyl-4-[[4-[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]methyl]-1,3-oxazole

C17H22N4O2S — CID 96558667

IUPAC2-(furan-2-yl)-5-methyl-4-[[4-[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]methyl]-1,3-oxazole
SMILESCc1oc(-c2ccco2)nc1CN1CCN(C2=NC[C@@H](C)S2)CC1
InChIInChI=1S/C17H22N4O2S/c1-12-10-18-17(24-12)21-7-5-20(6-8-21)11-14-13(2)23-16(19-14)15-4-3-9-22-15/h3-4,9,12H,5-8,10-11H2,1-2H3/t12-/m1/s1
InChIKeyJCTSHNLAKYTXSJ-GFCCVEGCSA-N
MW346.46 g/mol
LogP2.85
Rot. Bonds3

About 2-(furan-2-yl)-5-methyl-4-[[4-[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]methyl]-1,3-oxazole

2-(furan-2-yl)-5-methyl-4-[[4-[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]methyl]-1,3-oxazole (PubChem CID 96558667) has the molecular formula C17H22N4O2S and a molecular weight of 346.46 g/mol. Its IUPAC name is 2-(furan-2-yl)-5-methyl-4-[[4-[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]methyl]-1,3-oxazole.

Molecular Properties

Compound Name2-(furan-2-yl)-5-methyl-4-[[4-[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]methyl]-1,3-oxazole
PubChem CID96558667
Molecular FormulaC17H22N4O2S
Molecular Weight346.46 g/mol
Exact Mass346.15
IUPAC Name2-(furan-2-yl)-5-methyl-4-[[4-[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]methyl]-1,3-oxazole
SMILESCc1oc(-c2ccco2)nc1CN1CCN(C2=NC[C@@H](C)S2)CC1
InChIInChI=1S/C17H22N4O2S/c1-12-10-18-17(24-12)21-7-5-20(6-8-21)11-14-13(2)23-16(19-14)15-4-3-9-22-15/h3-4,9,12H,5-8,10-11H2,1-2H3/t12-/m1/s1
InChIKeyJCTSHNLAKYTXSJ-GFCCVEGCSA-N
XLogP2.85
TPSA58.01 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-(furan-2-yl)-4-[[4-(2-methoxyphenoxy)piperidin-1-yl]methyl]-5-methyl-1,3-oxazole
CID 25460901
4-[[(1S)-6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methyl]-2-(furan-2-yl)-5-methyl-1,3-oxazole
CID 95192473
3-[(2S)-1-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrrolidin-2-yl]-4-methyl-1,2,5-oxadiazole
CID 28737597
2-[[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methyl-methylamino]methyl]cyclopentan-1-ol
CID 109398034
2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]ethanone
CID 95607255
(5S)-5-methyl-2-[4-(5-pyrazol-1-ylpentyl)piperazin-1-yl]-4,5-dihydro-1,3-thiazole
CID 96558661
2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-1-(3-methyl-3,4-dihydro-2H-quinoxalin-1-yl)ethanone
CID 167782573
methyl (2S,4R)-1-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methyl]-4-hydroxypyrrolidine-2-carboxylate
CID 56805035
(3S)-1-[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]acetyl]piperidine-3-carboxylic acid
CID 99638821
(3R,4R)-4-cyclopropyl-1-[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]acetyl]pyrrolidine-3-carboxylic acid
CID 120978114
2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-1-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]ethanone
CID 95613158
2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-1-(2-methylpiperazin-1-yl)ethanone;dihydrochloride
CID 119472173

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-5-methyl-4-[[4-[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]methyl]-1,3-oxazole?
The IUPAC name of 2-(furan-2-yl)-5-methyl-4-[[4-[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]methyl]-1,3-oxazole (CID 96558667) is 2-(furan-2-yl)-5-methyl-4-[[4-[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]methyl]-1,3-oxazole.
What is the SMILES notation for 2-(furan-2-yl)-5-methyl-4-[[4-[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]methyl]-1,3-oxazole?
The canonical SMILES for 2-(furan-2-yl)-5-methyl-4-[[4-[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]methyl]-1,3-oxazole is Cc1oc(-c2ccco2)nc1CN1CCN(C2=NC[C@@H](C)S2)CC1.
What is the InChIKey of 2-(furan-2-yl)-5-methyl-4-[[4-[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]methyl]-1,3-oxazole?
The InChIKey is JCTSHNLAKYTXSJ-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H22N4O2S/c1-12-10-18-17(24-12)21-7-5-20(6-8-21)11-14-13(2)23-16(19-14)15-4-3-9-22-15/h3-4,9,12H,5-8,10-11H2,1-2H3/t12-/m1/s1.
What are the key properties of 2-(furan-2-yl)-5-methyl-4-[[4-[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]methyl]-1,3-oxazole?
2-(furan-2-yl)-5-methyl-4-[[4-[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]methyl]-1,3-oxazole has a molecular weight of 346.46 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-5-methyl-4-[[4-[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]methyl]-1,3-oxazole is sourced from PubChem (CID 96558667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).