4,5-dimethyl-2-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methylsulfinylmethyl]-1,3-oxazole

C15H16N2O3S2 — CID 75519913

IUPAC4,5-dimethyl-2-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methylsulfinylmethyl]-1,3-oxazole
SMILESCc1nc(CS(=O)Cc2nc(-c3ccsc3)oc2C)oc1C
InChIInChI=1S/C15H16N2O3S2/c1-9-10(2)19-14(16-9)8-22(18)7-13-11(3)20-15(17-13)12-4-5-21-6-12/h4-6H,7-8H2,1-3H3
InChIKeyFCEDEYPQCZXAMB-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.77
Rot. Bonds5

About 4,5-dimethyl-2-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methylsulfinylmethyl]-1,3-oxazole

4,5-dimethyl-2-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methylsulfinylmethyl]-1,3-oxazole (PubChem CID 75519913) has the molecular formula C15H16N2O3S2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 4,5-dimethyl-2-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methylsulfinylmethyl]-1,3-oxazole.

Molecular Properties

Compound Name4,5-dimethyl-2-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methylsulfinylmethyl]-1,3-oxazole
PubChem CID75519913
Molecular FormulaC15H16N2O3S2
Molecular Weight336.44 g/mol
Exact Mass336.06
IUPAC Name4,5-dimethyl-2-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methylsulfinylmethyl]-1,3-oxazole
SMILESCc1nc(CS(=O)Cc2nc(-c3ccsc3)oc2C)oc1C
InChIInChI=1S/C15H16N2O3S2/c1-9-10(2)19-14(16-9)8-22(18)7-13-11(3)20-15(17-13)12-4-5-21-6-12/h4-6H,7-8H2,1-3H3
InChIKeyFCEDEYPQCZXAMB-UHFFFAOYSA-N
XLogP3.77
TPSA69.13 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4,5-dimethyl-2-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methylsulfinylmethyl]-1,3-oxazole with MolForge

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Launch Full Analysis

Related Compounds

4-[[(S)-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methylsulfinyl]methyl]benzonitrile
CID 97002498
N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methanamine
CID 29028159
2-[(4-chlorophenyl)methylsulfinylmethyl]-4,5-dimethyl-1,3-oxazole
CID 75502277
1-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]piperidin-4-ol
CID 110923157
(1S)-N-methyl-N-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]-1-thiophen-2-ylethanamine
CID 25491748
5-methyl-2-thiophen-3-yl-4-(triazol-1-ylmethyl)-1,3-oxazole
CID 86816468
4,5-dimethyl-2-[(5-methyl-1,3-thiazol-2-yl)methylsulfinylmethyl]-1,3-oxazole
CID 75502305
N-(2-hydroxy-2,3-dimethylbutyl)-2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)acetamide
CID 111484186
1-[2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)acetyl]piperidine-4-carboxylic acid
CID 119166403
4,5-dimethyl-2-[(5-phenyl-1,3-thiazol-2-yl)methylsulfinylmethyl]-1,3-oxazole
CID 75502302
4-[[2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)acetyl]amino]benzoic acid
CID 100640260
N-[1-amino-2-methyl-1-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methoxyimino]propan-2-yl]acetamide
CID 72691659

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methylsulfinylmethyl]-1,3-oxazole?
The IUPAC name of 4,5-dimethyl-2-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methylsulfinylmethyl]-1,3-oxazole (CID 75519913) is 4,5-dimethyl-2-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methylsulfinylmethyl]-1,3-oxazole.
What is the SMILES notation for 4,5-dimethyl-2-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methylsulfinylmethyl]-1,3-oxazole?
The canonical SMILES for 4,5-dimethyl-2-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methylsulfinylmethyl]-1,3-oxazole is Cc1nc(CS(=O)Cc2nc(-c3ccsc3)oc2C)oc1C.
What is the InChIKey of 4,5-dimethyl-2-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methylsulfinylmethyl]-1,3-oxazole?
The InChIKey is FCEDEYPQCZXAMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S2/c1-9-10(2)19-14(16-9)8-22(18)7-13-11(3)20-15(17-13)12-4-5-21-6-12/h4-6H,7-8H2,1-3H3.
What are the key properties of 4,5-dimethyl-2-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methylsulfinylmethyl]-1,3-oxazole?
4,5-dimethyl-2-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methylsulfinylmethyl]-1,3-oxazole has a molecular weight of 336.44 g/mol, XLogP of 3.77, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methylsulfinylmethyl]-1,3-oxazole is sourced from PubChem (CID 75519913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).