3,5-dimethyl-N-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]-1,2-oxazole-4-sulfonamide

C19H24N4O3S — CID 11234629

IUPAC3,5-dimethyl-N-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)Nc1ccc2[nH]cc(C[C@H]3CCCN3C)c2c1
InChIInChI=1S/C19H24N4O3S/c1-12-19(13(2)26-21-12)27(24,25)22-15-6-7-18-17(10-15)14(11-20-18)9-16-5-4-8-23(16)3/h6-7,10-11,16,20,22H,4-5,8-9H2,1-3H3/t16-/m1/s1
InChIKeyNWNWNIHKEGIODQ-MRXNPFEDSA-N
MW388.49 g/mol
LogP3.21
Rot. Bonds5

About 3,5-dimethyl-N-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]-1,2-oxazole-4-sulfonamide

3,5-dimethyl-N-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]-1,2-oxazole-4-sulfonamide (PubChem CID 11234629) has the molecular formula C19H24N4O3S and a molecular weight of 388.49 g/mol. Its IUPAC name is 3,5-dimethyl-N-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]-1,2-oxazole-4-sulfonamide
PubChem CID11234629
Molecular FormulaC19H24N4O3S
Molecular Weight388.49 g/mol
Exact Mass388.16
IUPAC Name3,5-dimethyl-N-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)Nc1ccc2[nH]cc(C[C@H]3CCCN3C)c2c1
InChIInChI=1S/C19H24N4O3S/c1-12-19(13(2)26-21-12)27(24,25)22-15-6-7-18-17(10-15)14(11-20-18)9-16-5-4-8-23(16)3/h6-7,10-11,16,20,22H,4-5,8-9H2,1-3H3/t16-/m1/s1
InChIKeyNWNWNIHKEGIODQ-MRXNPFEDSA-N
XLogP3.21
TPSA91.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]-1,2-oxazole-4-sulfonamide?
The IUPAC name of 3,5-dimethyl-N-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]-1,2-oxazole-4-sulfonamide (CID 11234629) is 3,5-dimethyl-N-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for 3,5-dimethyl-N-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]-1,2-oxazole-4-sulfonamide?
The canonical SMILES for 3,5-dimethyl-N-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]-1,2-oxazole-4-sulfonamide is Cc1noc(C)c1S(=O)(=O)Nc1ccc2[nH]cc(C[C@H]3CCCN3C)c2c1.
What is the InChIKey of 3,5-dimethyl-N-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]-1,2-oxazole-4-sulfonamide?
The InChIKey is NWNWNIHKEGIODQ-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H24N4O3S/c1-12-19(13(2)26-21-12)27(24,25)22-15-6-7-18-17(10-15)14(11-20-18)9-16-5-4-8-23(16)3/h6-7,10-11,16,20,22H,4-5,8-9H2,1-3H3/t16-/m1/s1.
What are the key properties of 3,5-dimethyl-N-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]-1,2-oxazole-4-sulfonamide?
3,5-dimethyl-N-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]-1,2-oxazole-4-sulfonamide has a molecular weight of 388.49 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 11234629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).