5-methyl-2-(oxan-4-ylsulfanylmethyl)-1,3-oxazole

C10H15NO2S — CID 84590864

IUPAC5-methyl-2-(oxan-4-ylsulfanylmethyl)-1,3-oxazole
SMILESCc1cnc(CSC2CCOCC2)o1
InChIInChI=1S/C10H15NO2S/c1-8-6-11-10(13-8)7-14-9-2-4-12-5-3-9/h6,9H,2-5,7H2,1H3
InChIKeyMBLYUIGKKMTPEO-UHFFFAOYSA-N
MW213.30 g/mol
LogP2.40
Rot. Bonds3

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

5-methyl-2-(oxan-4-ylsulfanylmethyl)-1,3-oxazole (PubChem CID 84590864) has the molecular formula C10H15NO2S and a molecular weight of 213.30 g/mol. Its IUPAC name is 5-methyl-2-(oxan-4-ylsulfanylmethyl)-1,3-oxazole.

Molecular Properties

Compound Name5-methyl-2-(oxan-4-ylsulfanylmethyl)-1,3-oxazole
PubChem CID84590864
Molecular FormulaC10H15NO2S
Molecular Weight213.30 g/mol
Exact Mass213.08
IUPAC Name5-methyl-2-(oxan-4-ylsulfanylmethyl)-1,3-oxazole
SMILESCc1cnc(CSC2CCOCC2)o1
InChIInChI=1S/C10H15NO2S/c1-8-6-11-10(13-8)7-14-9-2-4-12-5-3-9/h6,9H,2-5,7H2,1H3
InChIKeyMBLYUIGKKMTPEO-UHFFFAOYSA-N
XLogP2.40
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(oxan-4-ylsulfanylmethyl)-1,3-oxazole?
The IUPAC name of 5-methyl-2-(oxan-4-ylsulfanylmethyl)-1,3-oxazole (CID 84590864) is 5-methyl-2-(oxan-4-ylsulfanylmethyl)-1,3-oxazole.
What is the SMILES notation for 5-methyl-2-(oxan-4-ylsulfanylmethyl)-1,3-oxazole?
The canonical SMILES for 5-methyl-2-(oxan-4-ylsulfanylmethyl)-1,3-oxazole is Cc1cnc(CSC2CCOCC2)o1.
What is the InChIKey of 5-methyl-2-(oxan-4-ylsulfanylmethyl)-1,3-oxazole?
The InChIKey is MBLYUIGKKMTPEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2S/c1-8-6-11-10(13-8)7-14-9-2-4-12-5-3-9/h6,9H,2-5,7H2,1H3.
What are the key properties of 5-methyl-2-(oxan-4-ylsulfanylmethyl)-1,3-oxazole?
5-methyl-2-(oxan-4-ylsulfanylmethyl)-1,3-oxazole has a molecular weight of 213.30 g/mol, XLogP of 2.40, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(oxan-4-ylsulfanylmethyl)-1,3-oxazole is sourced from PubChem (CID 84590864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).