4-methyl-5-[(5-phenyl-1,3-oxazol-2-yl)sulfanylmethyl]-1,3-dioxol-2-one

C14H11NO4S — CID 100818190

IUPAC4-methyl-5-[(5-phenyl-1,3-oxazol-2-yl)sulfanylmethyl]-1,3-dioxol-2-one
SMILESCc1oc(=O)oc1CSc1ncc(-c2ccccc2)o1
InChIInChI=1S/C14H11NO4S/c1-9-12(19-14(16)17-9)8-20-13-15-7-11(18-13)10-5-3-2-4-6-10/h2-7H,8H2,1H3
InChIKeyCUHWXJQLEIKMHD-UHFFFAOYSA-N
MW289.31 g/mol
LogP3.49
Rot. Bonds4

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

4-methyl-5-[(5-phenyl-1,3-oxazol-2-yl)sulfanylmethyl]-1,3-dioxol-2-one (PubChem CID 100818190) has the molecular formula C14H11NO4S and a molecular weight of 289.31 g/mol. Its IUPAC name is 4-methyl-5-[(5-phenyl-1,3-oxazol-2-yl)sulfanylmethyl]-1,3-dioxol-2-one.

Molecular Properties

Compound Name4-methyl-5-[(5-phenyl-1,3-oxazol-2-yl)sulfanylmethyl]-1,3-dioxol-2-one
PubChem CID100818190
Molecular FormulaC14H11NO4S
Molecular Weight289.31 g/mol
Exact Mass289.04
IUPAC Name4-methyl-5-[(5-phenyl-1,3-oxazol-2-yl)sulfanylmethyl]-1,3-dioxol-2-one
SMILESCc1oc(=O)oc1CSc1ncc(-c2ccccc2)o1
InChIInChI=1S/C14H11NO4S/c1-9-12(19-14(16)17-9)8-20-13-15-7-11(18-13)10-5-3-2-4-6-10/h2-7H,8H2,1H3
InChIKeyCUHWXJQLEIKMHD-UHFFFAOYSA-N
XLogP3.49
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-hydroxy-2-[(5-phenyl-1,3-oxazol-2-yl)sulfanylmethyl]pyran-4-one
CID 75421544
2-[(5-chloro-1-methylpyrazol-3-yl)methylsulfanyl]-5-phenyl-1,3-oxazole
CID 166332484
N-[4-[(5-phenyl-1,3-oxazol-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide
CID 51096550
2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole
CID 46693046
5-(4-chlorophenyl)-2-(pyrimidin-2-ylmethylsulfanyl)-1,3-oxazole
CID 86819462
N-[(1R)-1-cyclopropylethyl]-2-[(5-phenyl-1,3-oxazol-2-yl)sulfanyl]acetamide
CID 94799042
2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-methyl-N-(1-phenylethyl)acetamide
CID 46692849
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(5-phenyl-1,3-oxazol-2-yl)sulfanyl]ethanone
CID 100818191
2-[[5-(4-bromophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-phenylacetamide
CID 50773556
2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-phenylacetamide
CID 50773647
5-(4-methylphenyl)-2-phenyl-1,3-oxazole
CID 3946772
N-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 164603929

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[(5-phenyl-1,3-oxazol-2-yl)sulfanylmethyl]-1,3-dioxol-2-one?
The IUPAC name of 4-methyl-5-[(5-phenyl-1,3-oxazol-2-yl)sulfanylmethyl]-1,3-dioxol-2-one (CID 100818190) is 4-methyl-5-[(5-phenyl-1,3-oxazol-2-yl)sulfanylmethyl]-1,3-dioxol-2-one.
What is the SMILES notation for 4-methyl-5-[(5-phenyl-1,3-oxazol-2-yl)sulfanylmethyl]-1,3-dioxol-2-one?
The canonical SMILES for 4-methyl-5-[(5-phenyl-1,3-oxazol-2-yl)sulfanylmethyl]-1,3-dioxol-2-one is Cc1oc(=O)oc1CSc1ncc(-c2ccccc2)o1.
What is the InChIKey of 4-methyl-5-[(5-phenyl-1,3-oxazol-2-yl)sulfanylmethyl]-1,3-dioxol-2-one?
The InChIKey is CUHWXJQLEIKMHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO4S/c1-9-12(19-14(16)17-9)8-20-13-15-7-11(18-13)10-5-3-2-4-6-10/h2-7H,8H2,1H3.
What are the key properties of 4-methyl-5-[(5-phenyl-1,3-oxazol-2-yl)sulfanylmethyl]-1,3-dioxol-2-one?
4-methyl-5-[(5-phenyl-1,3-oxazol-2-yl)sulfanylmethyl]-1,3-dioxol-2-one has a molecular weight of 289.31 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[(5-phenyl-1,3-oxazol-2-yl)sulfanylmethyl]-1,3-dioxol-2-one is sourced from PubChem (CID 100818190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).