4-(1H-indol-3-ylsulfanyl)-3-methyl-1,2-oxazole

C12H10N2OS — CID 138964423

IUPAC4-(1H-indol-3-ylsulfanyl)-3-methyl-1,2-oxazole
SMILESCc1nocc1Sc1c[nH]c2ccccc12
InChIInChI=1S/C12H10N2OS/c1-8-12(7-15-14-8)16-11-6-13-10-5-3-2-4-9(10)11/h2-7,13H,1H3
InChIKeyUDTTYPWLBUAFRZ-UHFFFAOYSA-N
MW230.29 g/mol
LogP3.62
Rot. Bonds2

About 4-(1H-indol-3-ylsulfanyl)-3-methyl-1,2-oxazole

4-(1H-indol-3-ylsulfanyl)-3-methyl-1,2-oxazole (PubChem CID 138964423) has the molecular formula C12H10N2OS and a molecular weight of 230.29 g/mol. Its IUPAC name is 4-(1H-indol-3-ylsulfanyl)-3-methyl-1,2-oxazole.

Molecular Properties

Compound Name4-(1H-indol-3-ylsulfanyl)-3-methyl-1,2-oxazole
PubChem CID138964423
Molecular FormulaC12H10N2OS
Molecular Weight230.29 g/mol
Exact Mass230.05
IUPAC Name4-(1H-indol-3-ylsulfanyl)-3-methyl-1,2-oxazole
SMILESCc1nocc1Sc1c[nH]c2ccccc12
InChIInChI=1S/C12H10N2OS/c1-8-12(7-15-14-8)16-11-6-13-10-5-3-2-4-9(10)11/h2-7,13H,1H3
InChIKeyUDTTYPWLBUAFRZ-UHFFFAOYSA-N
XLogP3.62
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(1H-indol-3-ylsulfanyl)phenyl]-N,N-dimethylmethanamine
CID 11818392
3-methoxysulfanyl-1H-indole
CID 141186328
3-[(4-methylphenyl)methylsulfanyl]-1H-indole
CID 43949394
3-(1-phenylethylsulfanyl)-1H-indole
CID 43949396
S-(1H-indol-3-yl) carbamothioate
CID 118129188
4-(1H-indol-3-ylmethyl)-3,5-dimethyl-1,2-oxazole
CID 11550369
3-[4-(trifluoromethoxy)phenyl]sulfanyl-1H-indole
CID 102584538
3-[(3-nitro-2-pyridinyl)sulfanyl]-1H-indole
CID 12542674
3-propan-2-yl-1H-indole
CID 12534824
3-methyl-1H-indole;N-methylmethanamine
CID 68994741
3-(4-bromophenyl)-4-(1H-indol-3-yl)-1,2-oxazole
CID 155806824
3-(oxolan-2-ylsulfanyl)-1H-indole
CID 121008561

Frequently Asked Questions

What is the IUPAC name of 4-(1H-indol-3-ylsulfanyl)-3-methyl-1,2-oxazole?
The IUPAC name of 4-(1H-indol-3-ylsulfanyl)-3-methyl-1,2-oxazole (CID 138964423) is 4-(1H-indol-3-ylsulfanyl)-3-methyl-1,2-oxazole.
What is the SMILES notation for 4-(1H-indol-3-ylsulfanyl)-3-methyl-1,2-oxazole?
The canonical SMILES for 4-(1H-indol-3-ylsulfanyl)-3-methyl-1,2-oxazole is Cc1nocc1Sc1c[nH]c2ccccc12.
What is the InChIKey of 4-(1H-indol-3-ylsulfanyl)-3-methyl-1,2-oxazole?
The InChIKey is UDTTYPWLBUAFRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2OS/c1-8-12(7-15-14-8)16-11-6-13-10-5-3-2-4-9(10)11/h2-7,13H,1H3.
What are the key properties of 4-(1H-indol-3-ylsulfanyl)-3-methyl-1,2-oxazole?
4-(1H-indol-3-ylsulfanyl)-3-methyl-1,2-oxazole has a molecular weight of 230.29 g/mol, XLogP of 3.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indol-3-ylsulfanyl)-3-methyl-1,2-oxazole is sourced from PubChem (CID 138964423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).