2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-1,3-benzoxazole

C12H10N2O2S — CID 47008823

IUPAC2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-1,3-benzoxazole
SMILESCc1cc(CSc2nc3ccccc3o2)no1
InChIInChI=1S/C12H10N2O2S/c1-8-6-9(14-16-8)7-17-12-13-10-4-2-3-5-11(10)15-12/h2-6H,7H2,1H3
InChIKeyWUCMRZUDFIEULT-UHFFFAOYSA-N
MW246.29 g/mol
LogP3.42
Rot. Bonds3

About 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-1,3-benzoxazole

2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-1,3-benzoxazole (PubChem CID 47008823) has the molecular formula C12H10N2O2S and a molecular weight of 246.29 g/mol. Its IUPAC name is 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-1,3-benzoxazole
PubChem CID47008823
Molecular FormulaC12H10N2O2S
Molecular Weight246.29 g/mol
Exact Mass246.05
IUPAC Name2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-1,3-benzoxazole
SMILESCc1cc(CSc2nc3ccccc3o2)no1
InChIInChI=1S/C12H10N2O2S/c1-8-6-9(14-16-8)7-17-12-13-10-4-2-3-5-11(10)15-12/h2-6H,7H2,1H3
InChIKeyWUCMRZUDFIEULT-UHFFFAOYSA-N
XLogP3.42
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.29
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3-methylphenyl)methylsulfanyl]-1,3-benzoxazole
CID 4299873
2-[(2,5-dimethylphenyl)methylsulfanyl]-1,3-benzoxazole
CID 4073218
[3-(1,3-benzoxazol-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 114218151
2-[[1-(3,4-dimethylphenyl)triazol-4-yl]methylsulfanyl]-1,3-benzoxazole
CID 90643682
2-[(3-propyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3-benzoxazole
CID 52557868
2-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3-benzoxazole
CID 16539589
2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3-benzoxazole
CID 32758499
1-(1,3-benzoxazol-2-ylsulfanyl)-N,N-dimethylmethanamine
CID 119085238
4-(1,3-benzoxazol-2-ylsulfanylmethyl)-3-methylbenzonitrile
CID 114483966
2-[(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,3-benzoxazole
CID 52830012
2-[[1-(2-fluorophenyl)triazol-4-yl]methylsulfanyl]-1,3-benzoxazole
CID 90643681
2-(3,3-dimethylbutylsulfanyl)-1,3-benzoxazole
CID 69292158

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-1,3-benzoxazole?
The IUPAC name of 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-1,3-benzoxazole (CID 47008823) is 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-1,3-benzoxazole.
What is the SMILES notation for 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-1,3-benzoxazole?
The canonical SMILES for 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-1,3-benzoxazole is Cc1cc(CSc2nc3ccccc3o2)no1.
What is the InChIKey of 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-1,3-benzoxazole?
The InChIKey is WUCMRZUDFIEULT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O2S/c1-8-6-9(14-16-8)7-17-12-13-10-4-2-3-5-11(10)15-12/h2-6H,7H2,1H3.
What are the key properties of 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-1,3-benzoxazole?
2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-1,3-benzoxazole has a molecular weight of 246.29 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-1,3-benzoxazole is sourced from PubChem (CID 47008823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).