1-(4-cyano-2-methyl-1,3-oxazol-5-yl)-N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]piperidine-4-carboxamide

C21H25N5O4S — CID 99792714

IUPAC1-(4-cyano-2-methyl-1,3-oxazol-5-yl)-N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]piperidine-4-carboxamide
SMILESCc1nc(C#N)c(N2CCC(C(=O)NCCS(=O)(=O)N3CCc4ccccc43)CC2)o1
InChIInChI=1S/C21H25N5O4S/c1-15-24-18(14-22)21(30-15)25-10-6-17(7-11-25)20(27)23-9-13-31(28,29)26-12-8-16-4-2-3-5-19(16)26/h2-5,17H,6-13H2,1H3,(H,23,27)
InChIKeyDYBNIFPJRQAFDY-UHFFFAOYSA-N
MW443.53 g/mol
LogP1.58
Rot. Bonds6

About 1-(4-cyano-2-methyl-1,3-oxazol-5-yl)-N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]piperidine-4-carboxamide

1-(4-cyano-2-methyl-1,3-oxazol-5-yl)-N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]piperidine-4-carboxamide (PubChem CID 99792714) has the molecular formula C21H25N5O4S and a molecular weight of 443.53 g/mol. Its IUPAC name is 1-(4-cyano-2-methyl-1,3-oxazol-5-yl)-N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-cyano-2-methyl-1,3-oxazol-5-yl)-N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]piperidine-4-carboxamide
PubChem CID99792714
Molecular FormulaC21H25N5O4S
Molecular Weight443.53 g/mol
Exact Mass443.16
IUPAC Name1-(4-cyano-2-methyl-1,3-oxazol-5-yl)-N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]piperidine-4-carboxamide
SMILESCc1nc(C#N)c(N2CCC(C(=O)NCCS(=O)(=O)N3CCc4ccccc43)CC2)o1
InChIInChI=1S/C21H25N5O4S/c1-15-24-18(14-22)21(30-15)25-10-6-17(7-11-25)20(27)23-9-13-31(28,29)26-12-8-16-4-2-3-5-19(16)26/h2-5,17H,6-13H2,1H3,(H,23,27)
InChIKeyDYBNIFPJRQAFDY-UHFFFAOYSA-N
XLogP1.58
TPSA119.54 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.53
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-benzyl-1-[2-[4-(4-cyano-2-methyl-1,3-oxazol-5-yl)piperazin-1-yl]-2-oxoethyl]piperidine-4-carboxamide
CID 38802505
1-(4-cyano-2-methyl-1,3-oxazol-5-yl)-N-[4-(furan-2-carbonylamino)phenyl]piperidine-4-carboxamide
CID 99792433
1-(4-cyano-2-methyl-1,3-oxazol-5-yl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]piperidine-4-carboxamide
CID 100685607
(2S)-N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-2-(4-hydroxypiperidin-1-yl)-2-phenylacetamide
CID 97184970
1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]piperidine-4-carboxamide
CID 56559097
1-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-3-(2-methyl-1,3-benzothiazol-6-yl)urea
CID 47032475
1-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-2-methyl-3-(1-phenylpyrrolidin-3-yl)guanidine
CID 111910749
1-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-2-(2-methylprop-2-enyl)guanidine
CID 111083281
cis-(1S,2R)-N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-2-(3-fluorophenyl)cyclopropane-1-carboxamide
CID 98790638
N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]octanamide
CID 55662696
2-(4-chlorophenyl)-N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-2-methylpropanamide
CID 55873198
N-[3-(2,3-dihydroindol-1-yl)propyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 38464944

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyano-2-methyl-1,3-oxazol-5-yl)-N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-(4-cyano-2-methyl-1,3-oxazol-5-yl)-N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]piperidine-4-carboxamide (CID 99792714) is 1-(4-cyano-2-methyl-1,3-oxazol-5-yl)-N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-cyano-2-methyl-1,3-oxazol-5-yl)-N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(4-cyano-2-methyl-1,3-oxazol-5-yl)-N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]piperidine-4-carboxamide is Cc1nc(C#N)c(N2CCC(C(=O)NCCS(=O)(=O)N3CCc4ccccc43)CC2)o1.
What is the InChIKey of 1-(4-cyano-2-methyl-1,3-oxazol-5-yl)-N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]piperidine-4-carboxamide?
The InChIKey is DYBNIFPJRQAFDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O4S/c1-15-24-18(14-22)21(30-15)25-10-6-17(7-11-25)20(27)23-9-13-31(28,29)26-12-8-16-4-2-3-5-19(16)26/h2-5,17H,6-13H2,1H3,(H,23,27).
What are the key properties of 1-(4-cyano-2-methyl-1,3-oxazol-5-yl)-N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]piperidine-4-carboxamide?
1-(4-cyano-2-methyl-1,3-oxazol-5-yl)-N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]piperidine-4-carboxamide has a molecular weight of 443.53 g/mol, XLogP of 1.58, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyano-2-methyl-1,3-oxazol-5-yl)-N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 99792714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).