5-ethyl-N-[(1R,5S)-8-(piperidin-4-ylmethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-yl]-1,2-oxazole-3-carboxamide

C19H30N4O4S — CID 118947287

IUPAC5-ethyl-N-[(1R,5S)-8-(piperidin-4-ylmethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-yl]-1,2-oxazole-3-carboxamide
SMILESCCc1cc(C(=O)NC2C[C@H]3CC[C@@H](C2)N3S(=O)(=O)CC2CCNCC2)no1
InChIInChI=1S/C19H30N4O4S/c1-2-17-11-18(22-27-17)19(24)21-14-9-15-3-4-16(10-14)23(15)28(25,26)12-13-5-7-20-8-6-13/h11,13-16,20H,2-10,12H2,1H3,(H,21,24)/t14?,15-,16+
InChIKeyGDXIVTLEGGFZGJ-MQVJKMGUSA-N
MW410.54 g/mol
LogP1.29
Rot. Bonds6

About 5-ethyl-N-[(1R,5S)-8-(piperidin-4-ylmethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-yl]-1,2-oxazole-3-carboxamide

5-ethyl-N-[(1R,5S)-8-(piperidin-4-ylmethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-yl]-1,2-oxazole-3-carboxamide (PubChem CID 118947287) has the molecular formula C19H30N4O4S and a molecular weight of 410.54 g/mol. Its IUPAC name is 5-ethyl-N-[(1R,5S)-8-(piperidin-4-ylmethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-yl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-ethyl-N-[(1R,5S)-8-(piperidin-4-ylmethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-yl]-1,2-oxazole-3-carboxamide
PubChem CID118947287
Molecular FormulaC19H30N4O4S
Molecular Weight410.54 g/mol
Exact Mass410.20
IUPAC Name5-ethyl-N-[(1R,5S)-8-(piperidin-4-ylmethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-yl]-1,2-oxazole-3-carboxamide
SMILESCCc1cc(C(=O)NC2C[C@H]3CC[C@@H](C2)N3S(=O)(=O)CC2CCNCC2)no1
InChIInChI=1S/C19H30N4O4S/c1-2-17-11-18(22-27-17)19(24)21-14-9-15-3-4-16(10-14)23(15)28(25,26)12-13-5-7-20-8-6-13/h11,13-16,20H,2-10,12H2,1H3,(H,21,24)/t14?,15-,16+
InChIKeyGDXIVTLEGGFZGJ-MQVJKMGUSA-N
XLogP1.29
TPSA104.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.54
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-ethyl-N-[(1R,5S)-8-(piperidin-4-ylmethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-yl]-1,2-oxazole-3-carboxamide with MolForge

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Related Compounds

N-(8-azabicyclo[3.2.1]octan-3-yl)-5-ethyl-1,2-oxazole-3-carboxamide
CID 140824507
N-[8-[[1-[(3,3-difluorocyclobutyl)methyl]piperidin-4-yl]methylsulfonyl]-8-azabicyclo[3.2.1]octan-3-yl]-5-[(1S,2R)-2-fluorocyclopropyl]-1,2-oxazole-3-carboxamide
CID 177148428
5-ethyl-N-[(1R,5S)-3-[4-(2-hydroxyethylamino)cyclohexyl]sulfonyl-7-tricyclo[3.3.1.03,9]nonanyl]-1,2-oxazole-3-carboxamide
CID 145040448
N-[8-[[3-[(4-fluorophenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methylsulfonyl]-8-azabicyclo[3.2.1]octan-3-yl]-5-(oxetan-3-yl)-1,2-oxazole-3-carboxamide
CID 177148497
5-ethyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,2-oxazole-3-carboxamide
CID 146109258
N-[8-[[3-[(2,2-difluorocyclopropyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methylsulfonyl]-8-azabicyclo[3.2.1]octan-3-yl]-5-(oxetan-3-yl)-1,2-oxazole-3-carboxamide
CID 177148692
1-[5-(piperidin-4-ylmethyl)-1,2-oxazol-3-yl]ethanone
CID 115093984
N-[(1S,5S)-8-(8-azabicyclo[3.2.1]octan-8-ylsulfonyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-(oxetan-3-yl)-1,2-oxazole-3-carboxamide
CID 177148687
N-[8-[[3-(2-hydroxyethylamino)-8-azabicyclo[3.2.1]octan-8-yl]sulfonyl]-8-azabicyclo[3.2.1]octan-3-yl]-5-(oxetan-3-yl)-1,2-oxazole-3-carboxamide
CID 177148443
5-cyclopropyl-N-[(1R,5S)-8-[4-(5,5,5-trifluoropentyl)piperidin-1-yl]sulfonyl-8-azabicyclo[3.2.1]octan-3-yl]-1,2-oxazole-3-carboxamide
CID 148576255
N-[8-(4-aminopiperidin-1-yl)sulfonyl-8-azabicyclo[3.2.1]octan-3-yl]-5-ethylpyridazine-3-carboxamide
CID 153443793
5-ethyl-N-pentyl-1,2-oxazole-3-carboxamide
CID 160831155

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[(1R,5S)-8-(piperidin-4-ylmethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-yl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-ethyl-N-[(1R,5S)-8-(piperidin-4-ylmethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-yl]-1,2-oxazole-3-carboxamide (CID 118947287) is 5-ethyl-N-[(1R,5S)-8-(piperidin-4-ylmethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-yl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-ethyl-N-[(1R,5S)-8-(piperidin-4-ylmethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-yl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-ethyl-N-[(1R,5S)-8-(piperidin-4-ylmethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-yl]-1,2-oxazole-3-carboxamide is CCc1cc(C(=O)NC2C[C@H]3CC[C@@H](C2)N3S(=O)(=O)CC2CCNCC2)no1.
What is the InChIKey of 5-ethyl-N-[(1R,5S)-8-(piperidin-4-ylmethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-yl]-1,2-oxazole-3-carboxamide?
The InChIKey is GDXIVTLEGGFZGJ-MQVJKMGUSA-N. The full InChI is InChI=1S/C19H30N4O4S/c1-2-17-11-18(22-27-17)19(24)21-14-9-15-3-4-16(10-14)23(15)28(25,26)12-13-5-7-20-8-6-13/h11,13-16,20H,2-10,12H2,1H3,(H,21,24)/t14?,15-,16+.
What are the key properties of 5-ethyl-N-[(1R,5S)-8-(piperidin-4-ylmethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-yl]-1,2-oxazole-3-carboxamide?
5-ethyl-N-[(1R,5S)-8-(piperidin-4-ylmethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-yl]-1,2-oxazole-3-carboxamide has a molecular weight of 410.54 g/mol, XLogP of 1.29, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[(1R,5S)-8-(piperidin-4-ylmethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-yl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 118947287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).