5-ethyl-N-[(1R,5S)-3-[4-(2-hydroxyethylamino)cyclohexyl]sulfonyl-7-tricyclo[3.3.1.03,9]nonanyl]-1,2-oxazole-3-carboxamide

C23H35N3O5S — CID 145040448

IUPAC5-ethyl-N-[(1R,5S)-3-[4-(2-hydroxyethylamino)cyclohexyl]sulfonyl-7-tricyclo[3.3.1.03,9]nonanyl]-1,2-oxazole-3-carboxamide
SMILESCCc1cc(C(=O)NC2C[C@@H]3CC4(S(=O)(=O)C5CCC(NCCO)CC5)C[C@H](C2)C34)no1
InChIInChI=1S/C23H35N3O5S/c1-2-18-11-20(26-31-18)22(28)25-17-9-14-12-23(13-15(10-17)21(14)23)32(29,30)19-5-3-16(4-6-19)24-7-8-27/h11,14-17,19,21,24,27H,2-10,12-13H2,1H3,(H,25,28)/t14-,15+,16?,17?,19?,21?,23?
InChIKeyRXEGSWYUCGDHKS-RRUVXUSUSA-N
MW465.62 g/mol
LogP1.83
Rot. Bonds8

About 5-ethyl-N-[(1R,5S)-3-[4-(2-hydroxyethylamino)cyclohexyl]sulfonyl-7-tricyclo[3.3.1.03,9]nonanyl]-1,2-oxazole-3-carboxamide

5-ethyl-N-[(1R,5S)-3-[4-(2-hydroxyethylamino)cyclohexyl]sulfonyl-7-tricyclo[3.3.1.03,9]nonanyl]-1,2-oxazole-3-carboxamide (PubChem CID 145040448) has the molecular formula C23H35N3O5S and a molecular weight of 465.62 g/mol. Its IUPAC name is 5-ethyl-N-[(1R,5S)-3-[4-(2-hydroxyethylamino)cyclohexyl]sulfonyl-7-tricyclo[3.3.1.03,9]nonanyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-ethyl-N-[(1R,5S)-3-[4-(2-hydroxyethylamino)cyclohexyl]sulfonyl-7-tricyclo[3.3.1.03,9]nonanyl]-1,2-oxazole-3-carboxamide
PubChem CID145040448
Molecular FormulaC23H35N3O5S
Molecular Weight465.62 g/mol
Exact Mass465.23
IUPAC Name5-ethyl-N-[(1R,5S)-3-[4-(2-hydroxyethylamino)cyclohexyl]sulfonyl-7-tricyclo[3.3.1.03,9]nonanyl]-1,2-oxazole-3-carboxamide
SMILESCCc1cc(C(=O)NC2C[C@@H]3CC4(S(=O)(=O)C5CCC(NCCO)CC5)C[C@H](C2)C34)no1
InChIInChI=1S/C23H35N3O5S/c1-2-18-11-20(26-31-18)22(28)25-17-9-14-12-23(13-15(10-17)21(14)23)32(29,30)19-5-3-16(4-6-19)24-7-8-27/h11,14-17,19,21,24,27H,2-10,12-13H2,1H3,(H,25,28)/t14-,15+,16?,17?,19?,21?,23?
InChIKeyRXEGSWYUCGDHKS-RRUVXUSUSA-N
XLogP1.83
TPSA121.53 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.62
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 5-ethyl-N-[(1R,5S)-3-[4-(2-hydroxyethylamino)cyclohexyl]sulfonyl-7-tricyclo[3.3.1.03,9]nonanyl]-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
5-ethyl-N-[(1R,5S)-8-(piperidin-4-ylmethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-yl]-1,2-oxazole-3-carboxamide
CID 118947287
N-[4-(ethylamino)cyclohexyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
CID 66155543
5-ethyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,2-oxazole-3-carboxamide
CID 146109258
5-ethyl-N-pentyl-1,2-oxazole-3-carboxamide
CID 160831155
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
N-(4-aminocyclohexyl)-5-butyl-1,2-oxazole-3-carboxamide
CID 130188039
N-[(3S)-1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-3-yl]-5-ethyl-1,2-oxazole-3-carboxamide
CID 92589072
N-(2,2-dimethylheptyl)-5-ethyl-1,2-oxazole-3-carboxamide
CID 160550782
5-[[benzyl(methyl)amino]methyl]-N-(oxan-4-yl)-1,2-oxazole-3-carboxamide
CID 42122193
5-ethyl-N-[2-(4-fluorophenyl)sulfonylethyl]-1,2-oxazole-3-carboxamide
CID 74232862
5-cyclopropyl-N-[1-[[4-(3,3,3-trifluoropropylamino)cyclohexyl]methylsulfonyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide
CID 155566734

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[(1R,5S)-3-[4-(2-hydroxyethylamino)cyclohexyl]sulfonyl-7-tricyclo[3.3.1.03,9]nonanyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 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) is 5-ethyl-N-[(1R,5S)-3-[4-(2-hydroxyethylamino)cyclohexyl]sulfonyl-7-tricyclo[3.3.1.03,9]nonanyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-ethyl-N-[(1R,5S)-3-[4-(2-hydroxyethylamino)cyclohexyl]sulfonyl-7-tricyclo[3.3.1.03,9]nonanyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-ethyl-N-[(1R,5S)-3-[4-(2-hydroxyethylamino)cyclohexyl]sulfonyl-7-tricyclo[3.3.1.03,9]nonanyl]-1,2-oxazole-3-carboxamide is CCc1cc(C(=O)NC2C[C@@H]3CC4(S(=O)(=O)C5CCC(NCCO)CC5)C[C@H](C2)C34)no1.
What is the InChIKey of 5-ethyl-N-[(1R,5S)-3-[4-(2-hydroxyethylamino)cyclohexyl]sulfonyl-7-tricyclo[3.3.1.03,9]nonanyl]-1,2-oxazole-3-carboxamide?
The InChIKey is RXEGSWYUCGDHKS-RRUVXUSUSA-N. The full InChI is InChI=1S/C23H35N3O5S/c1-2-18-11-20(26-31-18)22(28)25-17-9-14-12-23(13-15(10-17)21(14)23)32(29,30)19-5-3-16(4-6-19)24-7-8-27/h11,14-17,19,21,24,27H,2-10,12-13H2,1H3,(H,25,28)/t14-,15+,16?,17?,19?,21?,23?.
What are the key properties of 5-ethyl-N-[(1R,5S)-3-[4-(2-hydroxyethylamino)cyclohexyl]sulfonyl-7-tricyclo[3.3.1.03,9]nonanyl]-1,2-oxazole-3-carboxamide?
5-ethyl-N-[(1R,5S)-3-[4-(2-hydroxyethylamino)cyclohexyl]sulfonyl-7-tricyclo[3.3.1.03,9]nonanyl]-1,2-oxazole-3-carboxamide has a molecular weight of 465.62 g/mol, XLogP of 1.83, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[(1R,5S)-3-[4-(2-hydroxyethylamino)cyclohexyl]sulfonyl-7-tricyclo[3.3.1.03,9]nonanyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 145040448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).