3-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3,4-thiadiazol-2-one

C7H7N3O2S — CID 130610500

IUPAC3-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3,4-thiadiazol-2-one
SMILESCc1cc(Cn2ncsc2=O)no1
InChIInChI=1S/C7H7N3O2S/c1-5-2-6(9-12-5)3-10-7(11)13-4-8-10/h2,4H,3H2,1H3
InChIKeyHNFGJERZBNMHIO-UHFFFAOYSA-N
MW197.22 g/mol
LogP0.65
Rot. Bonds2

About 3-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3,4-thiadiazol-2-one

3-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3,4-thiadiazol-2-one (PubChem CID 130610500) has the molecular formula C7H7N3O2S and a molecular weight of 197.22 g/mol. Its IUPAC name is 3-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3,4-thiadiazol-2-one.

Molecular Properties

Compound Name3-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3,4-thiadiazol-2-one
PubChem CID130610500
Molecular FormulaC7H7N3O2S
Molecular Weight197.22 g/mol
Exact Mass197.03
IUPAC Name3-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3,4-thiadiazol-2-one
SMILESCc1cc(Cn2ncsc2=O)no1
InChIInChI=1S/C7H7N3O2S/c1-5-2-6(9-12-5)3-10-7(11)13-4-8-10/h2,4H,3H2,1H3
InChIKeyHNFGJERZBNMHIO-UHFFFAOYSA-N
XLogP0.65
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.22
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrazol-4-amine
CID 118678409
3-[(3,5-dibromopyrazol-1-yl)methyl]-5-methyl-1,2-oxazole
CID 114692779
1-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-propan-2-yltriazol-4-amine
CID 79542929
3-[(5-methyl-1,2-oxazol-3-yl)methyl]thieno[3,2-d]pyrimidin-4-one
CID 33279473
2-[2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]ethyl]pyridazin-3-one
CID 126913470
1-[(5-methyl-1,2-oxazol-3-yl)methyl]azetidin-3-amine
CID 65250257
3-bromo-1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridin-2-one
CID 114760853
5-bromo-6-methyl-3-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidin-4-one
CID 66310447
CID 89270748
CID 89270748
1-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-propyltriazol-4-amine
CID 79542851
1-(1-adamantyl)-3-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazolidine-2,4,5-trione
CID 8956354
3-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-(5-methylthiophen-2-yl)thieno[2,3-d]pyrimidin-4-one
CID 7646514

Frequently Asked Questions

What is the IUPAC name of 3-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3,4-thiadiazol-2-one?
The IUPAC name of 3-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3,4-thiadiazol-2-one (CID 130610500) is 3-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3,4-thiadiazol-2-one.
What is the SMILES notation for 3-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3,4-thiadiazol-2-one?
The canonical SMILES for 3-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3,4-thiadiazol-2-one is Cc1cc(Cn2ncsc2=O)no1.
What is the InChIKey of 3-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3,4-thiadiazol-2-one?
The InChIKey is HNFGJERZBNMHIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O2S/c1-5-2-6(9-12-5)3-10-7(11)13-4-8-10/h2,4H,3H2,1H3.
What are the key properties of 3-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3,4-thiadiazol-2-one?
3-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3,4-thiadiazol-2-one has a molecular weight of 197.22 g/mol, XLogP of 0.65, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3,4-thiadiazol-2-one is sourced from PubChem (CID 130610500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).