methyl 1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carbonyl]-2,3-dihydroindole-2-carboxylate

C21H25N3O6S — CID 56548206

IUPACmethyl 1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carbonyl]-2,3-dihydroindole-2-carboxylate
SMILESCOC(=O)C1Cc2ccccc2N1C(=O)C1CCN(S(=O)(=O)c2c(C)noc2C)CC1
InChIInChI=1S/C21H25N3O6S/c1-13-19(14(2)30-22-13)31(27,28)23-10-8-15(9-11-23)20(25)24-17-7-5-4-6-16(17)12-18(24)21(26)29-3/h4-7,15,18H,8-12H2,1-3H3
InChIKeyBOIDROLCVIGZEG-UHFFFAOYSA-N
MW447.51 g/mol
LogP1.82
Rot. Bonds4

About methyl 1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carbonyl]-2,3-dihydroindole-2-carboxylate

methyl 1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carbonyl]-2,3-dihydroindole-2-carboxylate (PubChem CID 56548206) has the molecular formula C21H25N3O6S and a molecular weight of 447.51 g/mol. Its IUPAC name is methyl 1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carbonyl]-2,3-dihydroindole-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carbonyl]-2,3-dihydroindole-2-carboxylate
PubChem CID56548206
Molecular FormulaC21H25N3O6S
Molecular Weight447.51 g/mol
Exact Mass447.15
IUPAC Namemethyl 1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carbonyl]-2,3-dihydroindole-2-carboxylate
SMILESCOC(=O)C1Cc2ccccc2N1C(=O)C1CCN(S(=O)(=O)c2c(C)noc2C)CC1
InChIInChI=1S/C21H25N3O6S/c1-13-19(14(2)30-22-13)31(27,28)23-10-8-15(9-11-23)20(25)24-17-7-5-4-6-16(17)12-18(24)21(26)29-3/h4-7,15,18H,8-12H2,1-3H3
InChIKeyBOIDROLCVIGZEG-UHFFFAOYSA-N
XLogP1.82
TPSA110.02 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.51
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carbonyl]-2,3-dihydroindole-2-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carbonyl]-2,3-dihydroindole-2-carboxylate?
The IUPAC name of methyl 1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carbonyl]-2,3-dihydroindole-2-carboxylate (CID 56548206) is methyl 1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carbonyl]-2,3-dihydroindole-2-carboxylate.
What is the SMILES notation for methyl 1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carbonyl]-2,3-dihydroindole-2-carboxylate?
The canonical SMILES for methyl 1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carbonyl]-2,3-dihydroindole-2-carboxylate is COC(=O)C1Cc2ccccc2N1C(=O)C1CCN(S(=O)(=O)c2c(C)noc2C)CC1.
What is the InChIKey of methyl 1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carbonyl]-2,3-dihydroindole-2-carboxylate?
The InChIKey is BOIDROLCVIGZEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O6S/c1-13-19(14(2)30-22-13)31(27,28)23-10-8-15(9-11-23)20(25)24-17-7-5-4-6-16(17)12-18(24)21(26)29-3/h4-7,15,18H,8-12H2,1-3H3.
What are the key properties of methyl 1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carbonyl]-2,3-dihydroindole-2-carboxylate?
methyl 1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carbonyl]-2,3-dihydroindole-2-carboxylate has a molecular weight of 447.51 g/mol, XLogP of 1.82, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carbonyl]-2,3-dihydroindole-2-carboxylate is sourced from PubChem (CID 56548206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).