2-[(2,5-dimethyl-1H-indol-3-yl)sulfanyl]-4-methyl-1,3-oxazole

C14H14N2OS — CID 67020543

IUPAC2-[(2,5-dimethyl-1H-indol-3-yl)sulfanyl]-4-methyl-1,3-oxazole
SMILESCc1ccc2[nH]c(C)c(Sc3nc(C)co3)c2c1
InChIInChI=1S/C14H14N2OS/c1-8-4-5-12-11(6-8)13(10(3)16-12)18-14-15-9(2)7-17-14/h4-7,16H,1-3H3
InChIKeyCJBSRCZRLHMNHY-UHFFFAOYSA-N
MW258.35 g/mol
LogP4.23
Rot. Bonds2

About 2-[(2,5-dimethyl-1H-indol-3-yl)sulfanyl]-4-methyl-1,3-oxazole

2-[(2,5-dimethyl-1H-indol-3-yl)sulfanyl]-4-methyl-1,3-oxazole (PubChem CID 67020543) has the molecular formula C14H14N2OS and a molecular weight of 258.35 g/mol. Its IUPAC name is 2-[(2,5-dimethyl-1H-indol-3-yl)sulfanyl]-4-methyl-1,3-oxazole.

Molecular Properties

Compound Name2-[(2,5-dimethyl-1H-indol-3-yl)sulfanyl]-4-methyl-1,3-oxazole
PubChem CID67020543
Molecular FormulaC14H14N2OS
Molecular Weight258.35 g/mol
Exact Mass258.08
IUPAC Name2-[(2,5-dimethyl-1H-indol-3-yl)sulfanyl]-4-methyl-1,3-oxazole
SMILESCc1ccc2[nH]c(C)c(Sc3nc(C)co3)c2c1
InChIInChI=1S/C14H14N2OS/c1-8-4-5-12-11(6-8)13(10(3)16-12)18-14-15-9(2)7-17-14/h4-7,16H,1-3H3
InChIKeyCJBSRCZRLHMNHY-UHFFFAOYSA-N
XLogP4.23
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dimethyl-1H-indol-3-yl)sulfanyl]-4-methyl-1,3-oxazole?
The IUPAC name of 2-[(2,5-dimethyl-1H-indol-3-yl)sulfanyl]-4-methyl-1,3-oxazole (CID 67020543) is 2-[(2,5-dimethyl-1H-indol-3-yl)sulfanyl]-4-methyl-1,3-oxazole.
What is the SMILES notation for 2-[(2,5-dimethyl-1H-indol-3-yl)sulfanyl]-4-methyl-1,3-oxazole?
The canonical SMILES for 2-[(2,5-dimethyl-1H-indol-3-yl)sulfanyl]-4-methyl-1,3-oxazole is Cc1ccc2[nH]c(C)c(Sc3nc(C)co3)c2c1.
What is the InChIKey of 2-[(2,5-dimethyl-1H-indol-3-yl)sulfanyl]-4-methyl-1,3-oxazole?
The InChIKey is CJBSRCZRLHMNHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2OS/c1-8-4-5-12-11(6-8)13(10(3)16-12)18-14-15-9(2)7-17-14/h4-7,16H,1-3H3.
What are the key properties of 2-[(2,5-dimethyl-1H-indol-3-yl)sulfanyl]-4-methyl-1,3-oxazole?
2-[(2,5-dimethyl-1H-indol-3-yl)sulfanyl]-4-methyl-1,3-oxazole has a molecular weight of 258.35 g/mol, XLogP of 4.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dimethyl-1H-indol-3-yl)sulfanyl]-4-methyl-1,3-oxazole is sourced from PubChem (CID 67020543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).