[5-bromo-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]indol-3-yl]methanol

C14H13BrN2O4S — CID 69193545

IUPAC[5-bromo-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]indol-3-yl]methanol
SMILESCc1noc(C)c1S(=O)(=O)n1cc(CO)c2cc(Br)ccc21
InChIInChI=1S/C14H13BrN2O4S/c1-8-14(9(2)21-16-8)22(19,20)17-6-10(7-18)12-5-11(15)3-4-13(12)17/h3-6,18H,7H2,1-2H3
InChIKeySSWOPCKNRSWODC-UHFFFAOYSA-N
MW385.24 g/mol
LogP2.74
Rot. Bonds3

About [5-bromo-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]indol-3-yl]methanol

[5-bromo-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]indol-3-yl]methanol (PubChem CID 69193545) has the molecular formula C14H13BrN2O4S and a molecular weight of 385.24 g/mol. Its IUPAC name is [5-bromo-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]indol-3-yl]methanol.

Molecular Properties

Compound Name[5-bromo-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]indol-3-yl]methanol
PubChem CID69193545
Molecular FormulaC14H13BrN2O4S
Molecular Weight385.24 g/mol
Exact Mass383.98
IUPAC Name[5-bromo-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]indol-3-yl]methanol
SMILESCc1noc(C)c1S(=O)(=O)n1cc(CO)c2cc(Br)ccc21
InChIInChI=1S/C14H13BrN2O4S/c1-8-14(9(2)21-16-8)22(19,20)17-6-10(7-18)12-5-11(15)3-4-13(12)17/h3-6,18H,7H2,1-2H3
InChIKeySSWOPCKNRSWODC-UHFFFAOYSA-N
XLogP2.74
TPSA85.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.24
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[5-bromo-3-(chloromethyl)indol-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
CID 69182914
4-[3-(chloromethyl)-5-nitroindol-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
CID 69184352
2-[(Z)-1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]indol-3-yl]ethylideneamino]guanidine
CID 10474545
N-[2-(hydroxymethyl)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 60640605
ethyl 5-bromo-3-[4-(5-bromo-1-ethoxycarbonylindol-3-yl)-1,2,5-oxadiazol-3-yl]indole-1-carboxylate
CID 155806234
[5-bromo-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methanol
CID 28825757
3-[5-bromo-3-(hydroxymethyl)indol-1-yl]propanoic acid
CID 83971027
N-(4-bromophenyl)-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide
CID 20851644
4-[5-bromo-1-(2,3,4,5,6-pentamethylphenyl)sulfonylindol-3-yl]pyrimidin-2-amine
CID 118737089
N-[2-(4-bromophenyl)-2-hydroxypropyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 110291682
[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]methanol
CID 39373161
3,5-dimethyl-N-[2-(1-methylindol-3-yl)ethyl]-1,2-oxazole-4-sulfonamide
CID 110731554

Frequently Asked Questions

What is the IUPAC name of [5-bromo-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]indol-3-yl]methanol?
The IUPAC name of [5-bromo-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]indol-3-yl]methanol (CID 69193545) is [5-bromo-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]indol-3-yl]methanol.
What is the SMILES notation for [5-bromo-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]indol-3-yl]methanol?
The canonical SMILES for [5-bromo-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]indol-3-yl]methanol is Cc1noc(C)c1S(=O)(=O)n1cc(CO)c2cc(Br)ccc21.
What is the InChIKey of [5-bromo-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]indol-3-yl]methanol?
The InChIKey is SSWOPCKNRSWODC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O4S/c1-8-14(9(2)21-16-8)22(19,20)17-6-10(7-18)12-5-11(15)3-4-13(12)17/h3-6,18H,7H2,1-2H3.
What are the key properties of [5-bromo-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]indol-3-yl]methanol?
[5-bromo-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]indol-3-yl]methanol has a molecular weight of 385.24 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]indol-3-yl]methanol is sourced from PubChem (CID 69193545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).