5-(4-ethylsulfanylphenyl)-3-methyl-1,2-oxazole

C12H13NOS — CID 116868967

IUPAC5-(4-ethylsulfanylphenyl)-3-methyl-1,2-oxazole
SMILESCCSc1ccc(-c2cc(C)no2)cc1
InChIInChI=1S/C12H13NOS/c1-3-15-11-6-4-10(5-7-11)12-8-9(2)13-14-12/h4-8H,3H2,1-2H3
InChIKeyAMTQLVCJTGHODB-UHFFFAOYSA-N
MW219.31 g/mol
LogP3.76
Rot. Bonds3

About 5-(4-ethylsulfanylphenyl)-3-methyl-1,2-oxazole

5-(4-ethylsulfanylphenyl)-3-methyl-1,2-oxazole (PubChem CID 116868967) has the molecular formula C12H13NOS and a molecular weight of 219.31 g/mol. Its IUPAC name is 5-(4-ethylsulfanylphenyl)-3-methyl-1,2-oxazole.

Molecular Properties

Compound Name5-(4-ethylsulfanylphenyl)-3-methyl-1,2-oxazole
PubChem CID116868967
Molecular FormulaC12H13NOS
Molecular Weight219.31 g/mol
Exact Mass219.07
IUPAC Name5-(4-ethylsulfanylphenyl)-3-methyl-1,2-oxazole
SMILESCCSc1ccc(-c2cc(C)no2)cc1
InChIInChI=1S/C12H13NOS/c1-3-15-11-6-4-10(5-7-11)12-8-9(2)13-14-12/h4-8H,3H2,1-2H3
InChIKeyAMTQLVCJTGHODB-UHFFFAOYSA-N
XLogP3.76
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-ethylsulfanylphenyl)-1,2-oxazol-3-amine
CID 82472660
5-(4-butylphenyl)-3-methyl-1,2-oxazole
CID 169499000
3-methyl-5-(4-methylsulfonylphenyl)-1,2-oxazole
CID 116868966
ethane;1-ethylsulfanyl-4-methylbenzene
CID 142940651
5-chloro-3-(4-ethylsulfanylphenyl)-1,2,4-oxadiazole
CID 106849376
ethyl 2-[4-[4-(3-methyl-1,2-oxazol-5-yl)phenyl]phenyl]acetate
CID 141266104
2-chloro-N-[4-(3-methyl-1,2-oxazol-5-yl)phenyl]acetamide
CID 71371451
3-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2-oxazole
CID 116868892
3-methyl-5-(2-methylsulfanylpyrimidin-5-yl)-1,2-oxazole
CID 162383929
1-[3-(4-ethylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 106850000
2-[3-(4-ethylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 96663539
5-(5,6-difluoro-3-pyridinyl)-3-methyl-1,2-oxazole
CID 58015534

Frequently Asked Questions

What is the IUPAC name of 5-(4-ethylsulfanylphenyl)-3-methyl-1,2-oxazole?
The IUPAC name of 5-(4-ethylsulfanylphenyl)-3-methyl-1,2-oxazole (CID 116868967) is 5-(4-ethylsulfanylphenyl)-3-methyl-1,2-oxazole.
What is the SMILES notation for 5-(4-ethylsulfanylphenyl)-3-methyl-1,2-oxazole?
The canonical SMILES for 5-(4-ethylsulfanylphenyl)-3-methyl-1,2-oxazole is CCSc1ccc(-c2cc(C)no2)cc1.
What is the InChIKey of 5-(4-ethylsulfanylphenyl)-3-methyl-1,2-oxazole?
The InChIKey is AMTQLVCJTGHODB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NOS/c1-3-15-11-6-4-10(5-7-11)12-8-9(2)13-14-12/h4-8H,3H2,1-2H3.
What are the key properties of 5-(4-ethylsulfanylphenyl)-3-methyl-1,2-oxazole?
5-(4-ethylsulfanylphenyl)-3-methyl-1,2-oxazole has a molecular weight of 219.31 g/mol, XLogP of 3.76, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethylsulfanylphenyl)-3-methyl-1,2-oxazole is sourced from PubChem (CID 116868967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).