5-methyl-2-phenyl-4-[2-[4-(thiadiazol-5-ylmethyl)phenoxy]ethyl]-1,3-oxazole

C21H19N3O2S — CID 142651424

IUPAC5-methyl-2-phenyl-4-[2-[4-(thiadiazol-5-ylmethyl)phenoxy]ethyl]-1,3-oxazole
SMILESCc1oc(-c2ccccc2)nc1CCOc1ccc(Cc2cnns2)cc1
InChIInChI=1S/C21H19N3O2S/c1-15-20(23-21(26-15)17-5-3-2-4-6-17)11-12-25-18-9-7-16(8-10-18)13-19-14-22-24-27-19/h2-10,14H,11-13H2,1H3
InChIKeyYLWXQFBLELTGKJ-UHFFFAOYSA-N
MW377.47 g/mol
LogP4.71
Rot. Bonds7

About 5-methyl-2-phenyl-4-[2-[4-(thiadiazol-5-ylmethyl)phenoxy]ethyl]-1,3-oxazole

5-methyl-2-phenyl-4-[2-[4-(thiadiazol-5-ylmethyl)phenoxy]ethyl]-1,3-oxazole (PubChem CID 142651424) has the molecular formula C21H19N3O2S and a molecular weight of 377.47 g/mol. Its IUPAC name is 5-methyl-2-phenyl-4-[2-[4-(thiadiazol-5-ylmethyl)phenoxy]ethyl]-1,3-oxazole.

Molecular Properties

Compound Name5-methyl-2-phenyl-4-[2-[4-(thiadiazol-5-ylmethyl)phenoxy]ethyl]-1,3-oxazole
PubChem CID142651424
Molecular FormulaC21H19N3O2S
Molecular Weight377.47 g/mol
Exact Mass377.12
IUPAC Name5-methyl-2-phenyl-4-[2-[4-(thiadiazol-5-ylmethyl)phenoxy]ethyl]-1,3-oxazole
SMILESCc1oc(-c2ccccc2)nc1CCOc1ccc(Cc2cnns2)cc1
InChIInChI=1S/C21H19N3O2S/c1-15-20(23-21(26-15)17-5-3-2-4-6-17)11-12-25-18-9-7-16(8-10-18)13-19-14-22-24-27-19/h2-10,14H,11-13H2,1H3
InChIKeyYLWXQFBLELTGKJ-UHFFFAOYSA-N
XLogP4.71
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[2-[4-(chloromethyl)phenoxy]ethyl]-5-methyl-2-phenyl-1,3-oxazole
CID 11809594
2-[carboxymethyl-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid
CID 11189438
1-hydroxy-3-methyl-1-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]urea
CID 15646286
N-[[4-[2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]ethoxy]phenyl]methyl]-1-phenylmethanamine
CID 59964502
3-amino-2-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy](1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl]methyl]-3-oxopropanoic acid
CID 10862268
dimethyl 2-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]propanedioate
CID 6918417
methyl 2-methyl-3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propanoate
CID 59948196
2-[5-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-2-phenyltriazol-4-yl]acetic acid
CID 44565059
methyl (2S)-2-amino-3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propanoate
CID 10714801
3-ethoxy-2-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-3-oxopropanoic acid
CID 10788402
ethyl (2S)-2-(ethylamino)-3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propanoate;hydrochloride
CID 139706678
4-[2-(4-ethylphenoxy)ethyl]-5-methyl-2-phenyl-1,3-oxazole;1-methyl-4-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]pyrrole-3-carboxylic acid
CID 162081195

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-phenyl-4-[2-[4-(thiadiazol-5-ylmethyl)phenoxy]ethyl]-1,3-oxazole?
The IUPAC name of 5-methyl-2-phenyl-4-[2-[4-(thiadiazol-5-ylmethyl)phenoxy]ethyl]-1,3-oxazole (CID 142651424) is 5-methyl-2-phenyl-4-[2-[4-(thiadiazol-5-ylmethyl)phenoxy]ethyl]-1,3-oxazole.
What is the SMILES notation for 5-methyl-2-phenyl-4-[2-[4-(thiadiazol-5-ylmethyl)phenoxy]ethyl]-1,3-oxazole?
The canonical SMILES for 5-methyl-2-phenyl-4-[2-[4-(thiadiazol-5-ylmethyl)phenoxy]ethyl]-1,3-oxazole is Cc1oc(-c2ccccc2)nc1CCOc1ccc(Cc2cnns2)cc1.
What is the InChIKey of 5-methyl-2-phenyl-4-[2-[4-(thiadiazol-5-ylmethyl)phenoxy]ethyl]-1,3-oxazole?
The InChIKey is YLWXQFBLELTGKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2S/c1-15-20(23-21(26-15)17-5-3-2-4-6-17)11-12-25-18-9-7-16(8-10-18)13-19-14-22-24-27-19/h2-10,14H,11-13H2,1H3.
What are the key properties of 5-methyl-2-phenyl-4-[2-[4-(thiadiazol-5-ylmethyl)phenoxy]ethyl]-1,3-oxazole?
5-methyl-2-phenyl-4-[2-[4-(thiadiazol-5-ylmethyl)phenoxy]ethyl]-1,3-oxazole has a molecular weight of 377.47 g/mol, XLogP of 4.71, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-phenyl-4-[2-[4-(thiadiazol-5-ylmethyl)phenoxy]ethyl]-1,3-oxazole is sourced from PubChem (CID 142651424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).