2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylsulfanyl]-5-(3-phenylpropyl)-1,3,4-oxadiazole

C17H19N3O2S — CID 71995418

IUPAC2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylsulfanyl]-5-(3-phenylpropyl)-1,3,4-oxadiazole
SMILESCc1nc(CSc2nnc(CCCc3ccccc3)o2)oc1C
InChIInChI=1S/C17H19N3O2S/c1-12-13(2)21-16(18-12)11-23-17-20-19-15(22-17)10-6-9-14-7-4-3-5-8-14/h3-5,7-8H,6,9-11H2,1-2H3
InChIKeyFDCQXWUKHLMTAM-UHFFFAOYSA-N
MW329.43 g/mol
LogP4.14
Rot. Bonds7

About 2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylsulfanyl]-5-(3-phenylpropyl)-1,3,4-oxadiazole

2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylsulfanyl]-5-(3-phenylpropyl)-1,3,4-oxadiazole (PubChem CID 71995418) has the molecular formula C17H19N3O2S and a molecular weight of 329.43 g/mol. Its IUPAC name is 2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylsulfanyl]-5-(3-phenylpropyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylsulfanyl]-5-(3-phenylpropyl)-1,3,4-oxadiazole
PubChem CID71995418
Molecular FormulaC17H19N3O2S
Molecular Weight329.43 g/mol
Exact Mass329.12
IUPAC Name2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylsulfanyl]-5-(3-phenylpropyl)-1,3,4-oxadiazole
SMILESCc1nc(CSc2nnc(CCCc3ccccc3)o2)oc1C
InChIInChI=1S/C17H19N3O2S/c1-12-13(2)21-16(18-12)11-23-17-20-19-15(22-17)10-6-9-14-7-4-3-5-8-14/h3-5,7-8H,6,9-11H2,1-2H3
InChIKeyFDCQXWUKHLMTAM-UHFFFAOYSA-N
XLogP4.14
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylsulfanyl]-5-(3-phenylpropyl)-1,3,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[[5-(3-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]phenyl]methanol
CID 110005470
[5-[(4,5-dimethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine
CID 102629829
2-benzylsulfanyl-5-ethyl-1,3,4-oxadiazole
CID 8708192
[5-(4-phenylbutylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 102630594
3-[5-[(4-methylphenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 9170743
2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylsulfanyl]benzoic acid
CID 54881676
N-ethyl-3-[5-(3-phenylpropyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 62138167
2-(2-phenylethylsulfanyl)-5-(2-phenylpropyl)-1,3,4-oxadiazole
CID 78766246
2-(2,4-dimethoxyphenyl)-5-[(4,5-dimethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3,4-oxadiazole
CID 47073144
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-5-(2-phenylpropyl)-1,3,4-oxadiazole
CID 78766237
4-[5-(3-phenylpropyl)-1,3,4-oxadiazol-2-yl]butanoic acid
CID 60912310
4-[(4,5-dimethyl-1,3-oxazol-2-yl)methylsulfanyl]naphthalen-1-ol
CID 115945183

Frequently Asked Questions

What is the IUPAC name of 2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylsulfanyl]-5-(3-phenylpropyl)-1,3,4-oxadiazole?
The IUPAC name of 2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylsulfanyl]-5-(3-phenylpropyl)-1,3,4-oxadiazole (CID 71995418) is 2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylsulfanyl]-5-(3-phenylpropyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylsulfanyl]-5-(3-phenylpropyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylsulfanyl]-5-(3-phenylpropyl)-1,3,4-oxadiazole is Cc1nc(CSc2nnc(CCCc3ccccc3)o2)oc1C.
What is the InChIKey of 2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylsulfanyl]-5-(3-phenylpropyl)-1,3,4-oxadiazole?
The InChIKey is FDCQXWUKHLMTAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2S/c1-12-13(2)21-16(18-12)11-23-17-20-19-15(22-17)10-6-9-14-7-4-3-5-8-14/h3-5,7-8H,6,9-11H2,1-2H3.
What are the key properties of 2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylsulfanyl]-5-(3-phenylpropyl)-1,3,4-oxadiazole?
2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylsulfanyl]-5-(3-phenylpropyl)-1,3,4-oxadiazole has a molecular weight of 329.43 g/mol, XLogP of 4.14, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylsulfanyl]-5-(3-phenylpropyl)-1,3,4-oxadiazole is sourced from PubChem (CID 71995418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).