3-[[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)imidazol-1-yl]methyl]-5-propan-2-yl-1,2,4-oxadiazole

C17H17N5O2S — CID 56865153

IUPAC3-[[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)imidazol-1-yl]methyl]-5-propan-2-yl-1,2,4-oxadiazole
SMILESCc1oc(-c2cccs2)nc1-c1nccn1Cc1noc(C(C)C)n1
InChIInChI=1S/C17H17N5O2S/c1-10(2)16-19-13(21-24-16)9-22-7-6-18-15(22)14-11(3)23-17(20-14)12-5-4-8-25-12/h4-8,10H,9H2,1-3H3
InChIKeyRRJMBRBQYAGRJC-UHFFFAOYSA-N
MW355.42 g/mol
LogP4.13
Rot. Bonds5

About 3-[[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)imidazol-1-yl]methyl]-5-propan-2-yl-1,2,4-oxadiazole

3-[[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)imidazol-1-yl]methyl]-5-propan-2-yl-1,2,4-oxadiazole (PubChem CID 56865153) has the molecular formula C17H17N5O2S and a molecular weight of 355.42 g/mol. Its IUPAC name is 3-[[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)imidazol-1-yl]methyl]-5-propan-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)imidazol-1-yl]methyl]-5-propan-2-yl-1,2,4-oxadiazole
PubChem CID56865153
Molecular FormulaC17H17N5O2S
Molecular Weight355.42 g/mol
Exact Mass355.11
IUPAC Name3-[[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)imidazol-1-yl]methyl]-5-propan-2-yl-1,2,4-oxadiazole
SMILESCc1oc(-c2cccs2)nc1-c1nccn1Cc1noc(C(C)C)n1
InChIInChI=1S/C17H17N5O2S/c1-10(2)16-19-13(21-24-16)9-22-7-6-18-15(22)14-11(3)23-17(20-14)12-5-4-8-25-12/h4-8,10H,9H2,1-3H3
InChIKeyRRJMBRBQYAGRJC-UHFFFAOYSA-N
XLogP4.13
TPSA82.77 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3-[[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)imidazol-1-yl]methyl]-5-propan-2-yl-1,2,4-oxadiazole with MolForge

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Related Compounds

N-methyl-1-[5-methyl-2-(3-methyl-2-thienyl)-1,3-oxazol-4-yl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine
CID 56742055
1-(5-isopropyl-1,2,4-oxadiazol-3-yl)-N-methyl-N-{[5-methyl-2-(3-methyl-2-thienyl)-1,3-oxazol-4-yl]methyl}methanamine
CID 56759213
ethyl 1-{[5-methyl-2-(3-methyl-2-thienyl)-1,3-oxazol-4-yl]methyl}-1H-imidazole-2-carboxylate
CID 56750792
5-methyl-2-(5-methyl-2-thienyl)-4-[(2-propyl-1H-imidazol-1-yl)methyl]-1,3-oxazole
CID 56755102
5-methyl-4-[1-[(3S)-1-oxaspiro[4.4]nonan-3-yl]imidazol-2-yl]-2-thiophen-2-yl-1,3-oxazole
CID 96581036
2-methoxy-5-{2-[5-methyl-2-(2-thienyl)-1,3-oxazol-4-yl]-1H-imidazol-1-yl}pyridine
CID 56914035
4-[[1-(3-Fluorophenyl)imidazol-2-yl]sulfanylmethyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole
CID 30899973
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methyl-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 38344334
N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide
CID 55718514
N-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 56412828
N-methyl-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]acetamide
CID 56453331
4-[[2-[5-(2-fluorophenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]methyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole
CID 72114774

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)imidazol-1-yl]methyl]-5-propan-2-yl-1,2,4-oxadiazole?
The IUPAC name of 3-[[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)imidazol-1-yl]methyl]-5-propan-2-yl-1,2,4-oxadiazole (CID 56865153) is 3-[[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)imidazol-1-yl]methyl]-5-propan-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)imidazol-1-yl]methyl]-5-propan-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-[[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)imidazol-1-yl]methyl]-5-propan-2-yl-1,2,4-oxadiazole is Cc1oc(-c2cccs2)nc1-c1nccn1Cc1noc(C(C)C)n1.
What is the InChIKey of 3-[[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)imidazol-1-yl]methyl]-5-propan-2-yl-1,2,4-oxadiazole?
The InChIKey is RRJMBRBQYAGRJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2S/c1-10(2)16-19-13(21-24-16)9-22-7-6-18-15(22)14-11(3)23-17(20-14)12-5-4-8-25-12/h4-8,10H,9H2,1-3H3.
What are the key properties of 3-[[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)imidazol-1-yl]methyl]-5-propan-2-yl-1,2,4-oxadiazole?
3-[[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)imidazol-1-yl]methyl]-5-propan-2-yl-1,2,4-oxadiazole has a molecular weight of 355.42 g/mol, XLogP of 4.13, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)imidazol-1-yl]methyl]-5-propan-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 56865153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).