5-ethylsulfonyl-N-[1-[(5-methoxy-1H-indol-2-yl)methyl]piperidin-4-yl]-1,3-benzoxazol-2-amine

C24H28N4O4S — CID 68695754

IUPAC5-ethylsulfonyl-N-[1-[(5-methoxy-1H-indol-2-yl)methyl]piperidin-4-yl]-1,3-benzoxazol-2-amine
SMILESCCS(=O)(=O)c1ccc2oc(NC3CCN(Cc4cc5cc(OC)ccc5[nH]4)CC3)nc2c1
InChIInChI=1S/C24H28N4O4S/c1-3-33(29,30)20-5-7-23-22(14-20)27-24(32-23)26-17-8-10-28(11-9-17)15-18-12-16-13-19(31-2)4-6-21(16)25-18/h4-7,12-14,17,25H,3,8-11,15H2,1-2H3,(H,26,27)
InChIKeyIXPFSTZNPJVXPA-UHFFFAOYSA-N
MW468.58 g/mol
LogP4.19
Rot. Bonds7

About 5-ethylsulfonyl-N-[1-[(5-methoxy-1H-indol-2-yl)methyl]piperidin-4-yl]-1,3-benzoxazol-2-amine

5-ethylsulfonyl-N-[1-[(5-methoxy-1H-indol-2-yl)methyl]piperidin-4-yl]-1,3-benzoxazol-2-amine (PubChem CID 68695754) has the molecular formula C24H28N4O4S and a molecular weight of 468.58 g/mol. Its IUPAC name is 5-ethylsulfonyl-N-[1-[(5-methoxy-1H-indol-2-yl)methyl]piperidin-4-yl]-1,3-benzoxazol-2-amine.

Molecular Properties

Compound Name5-ethylsulfonyl-N-[1-[(5-methoxy-1H-indol-2-yl)methyl]piperidin-4-yl]-1,3-benzoxazol-2-amine
PubChem CID68695754
Molecular FormulaC24H28N4O4S
Molecular Weight468.58 g/mol
Exact Mass468.18
IUPAC Name5-ethylsulfonyl-N-[1-[(5-methoxy-1H-indol-2-yl)methyl]piperidin-4-yl]-1,3-benzoxazol-2-amine
SMILESCCS(=O)(=O)c1ccc2oc(NC3CCN(Cc4cc5cc(OC)ccc5[nH]4)CC3)nc2c1
InChIInChI=1S/C24H28N4O4S/c1-3-33(29,30)20-5-7-23-22(14-20)27-24(32-23)26-17-8-10-28(11-9-17)15-18-12-16-13-19(31-2)4-6-21(16)25-18/h4-7,12-14,17,25H,3,8-11,15H2,1-2H3,(H,26,27)
InChIKeyIXPFSTZNPJVXPA-UHFFFAOYSA-N
XLogP4.19
TPSA100.46 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.58
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-ethylsulfonyl-N-[1-[(5-methoxy-1H-indol-2-yl)methyl]piperidin-4-yl]-1,3-benzoxazol-2-amine with MolForge

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Related Compounds

N-[1-[(3,5-diethoxy-4-pyrrol-1-ylphenyl)methyl]piperidin-4-yl]-5-ethylsulfonyl-1,3-benzoxazol-2-amine;5-ethylsulfonyl-N-piperidin-4-yl-1,3-benzoxazol-2-amine
CID 69254963
N-[1-[(3-amino-5-ethoxy-4-iodophenyl)methyl]piperidin-4-yl]-5-ethylsulfonyl-1,3-benzoxazol-2-amine;5-ethylsulfonyl-N-piperidin-4-yl-1,3-benzoxazol-2-amine
CID 69255756
2-[[3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]methyl]-5-methoxy-1H-indole
CID 127246676
N-(4-ethoxyphenyl)-5-ethylsulfonyl-1,3-benzoxazol-2-amine
CID 2387945
2-[[1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidin-4-yl]amino]-N,N-dimethyl-1,3-benzoxazole-5-sulfonamide
CID 68703011
N-[1-[(3-ethoxy-4-methoxyphenyl)methyl]piperidin-4-yl]-5-nitro-1,3-benzoxazol-2-amine
CID 46882579
N-[1-[(3-ethoxy-4-methylphenyl)methyl]piperidin-4-yl]-5-nitro-1,3-benzoxazol-2-amine
CID 68696420
4-[[5-(3-methoxypropoxy)-1,3-benzoxazol-2-yl]amino]piperidine-1-carboxylic acid
CID 161403917
N-cyclohexyl-5-(4-methoxy-2-methylphenyl)-1,3-benzoxazol-2-amine
CID 68657492
methyl (2R)-1-[(5-ethylsulfonyl-1,3-benzoxazol-2-yl)methyl]piperidine-2-carboxylate
CID 97029922
5-ethylsulfonyl-2-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]-1,3-benzoxazole
CID 75615140
methyl 1-[(5-ethylsulfonyl-1,3-benzoxazol-2-yl)methyl]piperidine-2-carboxylate
CID 71847434

Frequently Asked Questions

What is the IUPAC name of 5-ethylsulfonyl-N-[1-[(5-methoxy-1H-indol-2-yl)methyl]piperidin-4-yl]-1,3-benzoxazol-2-amine?
The IUPAC name of 5-ethylsulfonyl-N-[1-[(5-methoxy-1H-indol-2-yl)methyl]piperidin-4-yl]-1,3-benzoxazol-2-amine (CID 68695754) is 5-ethylsulfonyl-N-[1-[(5-methoxy-1H-indol-2-yl)methyl]piperidin-4-yl]-1,3-benzoxazol-2-amine.
What is the SMILES notation for 5-ethylsulfonyl-N-[1-[(5-methoxy-1H-indol-2-yl)methyl]piperidin-4-yl]-1,3-benzoxazol-2-amine?
The canonical SMILES for 5-ethylsulfonyl-N-[1-[(5-methoxy-1H-indol-2-yl)methyl]piperidin-4-yl]-1,3-benzoxazol-2-amine is CCS(=O)(=O)c1ccc2oc(NC3CCN(Cc4cc5cc(OC)ccc5[nH]4)CC3)nc2c1.
What is the InChIKey of 5-ethylsulfonyl-N-[1-[(5-methoxy-1H-indol-2-yl)methyl]piperidin-4-yl]-1,3-benzoxazol-2-amine?
The InChIKey is IXPFSTZNPJVXPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O4S/c1-3-33(29,30)20-5-7-23-22(14-20)27-24(32-23)26-17-8-10-28(11-9-17)15-18-12-16-13-19(31-2)4-6-21(16)25-18/h4-7,12-14,17,25H,3,8-11,15H2,1-2H3,(H,26,27).
What are the key properties of 5-ethylsulfonyl-N-[1-[(5-methoxy-1H-indol-2-yl)methyl]piperidin-4-yl]-1,3-benzoxazol-2-amine?
5-ethylsulfonyl-N-[1-[(5-methoxy-1H-indol-2-yl)methyl]piperidin-4-yl]-1,3-benzoxazol-2-amine has a molecular weight of 468.58 g/mol, XLogP of 4.19, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylsulfonyl-N-[1-[(5-methoxy-1H-indol-2-yl)methyl]piperidin-4-yl]-1,3-benzoxazol-2-amine is sourced from PubChem (CID 68695754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).