5-cyclopropyl-N-[1-[[4-[methyl(4,4,4-trifluorobutyl)amino]cyclohexyl]methylsulfonyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide

C24H37F3N4O4S — CID 155522833

IUPAC5-cyclopropyl-N-[1-[[4-[methyl(4,4,4-trifluorobutyl)amino]cyclohexyl]methylsulfonyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide
SMILESCN(CCCC(F)(F)F)C1CCC(CS(=O)(=O)N2CCC(NC(=O)c3cc(C4CC4)on3)CC2)CC1
InChIInChI=1S/C24H37F3N4O4S/c1-30(12-2-11-24(25,26)27)20-7-3-17(4-8-20)16-36(33,34)31-13-9-19(10-14-31)28-23(32)21-15-22(35-29-21)18-5-6-18/h15,17-20H,2-14,16H2,1H3,(H,28,32)
InChIKeyYRSVLSCPNHQEEK-UHFFFAOYSA-N
MW534.65 g/mol
LogP3.91
Rot. Bonds10

About 5-cyclopropyl-N-[1-[[4-[methyl(4,4,4-trifluorobutyl)amino]cyclohexyl]methylsulfonyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide

5-cyclopropyl-N-[1-[[4-[methyl(4,4,4-trifluorobutyl)amino]cyclohexyl]methylsulfonyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide (PubChem CID 155522833) has the molecular formula C24H37F3N4O4S and a molecular weight of 534.65 g/mol. Its IUPAC name is 5-cyclopropyl-N-[1-[[4-[methyl(4,4,4-trifluorobutyl)amino]cyclohexyl]methylsulfonyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[1-[[4-[methyl(4,4,4-trifluorobutyl)amino]cyclohexyl]methylsulfonyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide
PubChem CID155522833
Molecular FormulaC24H37F3N4O4S
Molecular Weight534.65 g/mol
Exact Mass534.25
IUPAC Name5-cyclopropyl-N-[1-[[4-[methyl(4,4,4-trifluorobutyl)amino]cyclohexyl]methylsulfonyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide
SMILESCN(CCCC(F)(F)F)C1CCC(CS(=O)(=O)N2CCC(NC(=O)c3cc(C4CC4)on3)CC2)CC1
InChIInChI=1S/C24H37F3N4O4S/c1-30(12-2-11-24(25,26)27)20-7-3-17(4-8-20)16-36(33,34)31-13-9-19(10-14-31)28-23(32)21-15-22(35-29-21)18-5-6-18/h15,17-20H,2-14,16H2,1H3,(H,28,32)
InChIKeyYRSVLSCPNHQEEK-UHFFFAOYSA-N
XLogP3.91
TPSA95.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500534.65
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[1-[[4-[methyl(4,4,4-trifluorobutyl)amino]cyclohexyl]methylsulfonyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[1-[[4-[methyl(4,4,4-trifluorobutyl)amino]cyclohexyl]methylsulfonyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide (CID 155522833) is 5-cyclopropyl-N-[1-[[4-[methyl(4,4,4-trifluorobutyl)amino]cyclohexyl]methylsulfonyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[1-[[4-[methyl(4,4,4-trifluorobutyl)amino]cyclohexyl]methylsulfonyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[1-[[4-[methyl(4,4,4-trifluorobutyl)amino]cyclohexyl]methylsulfonyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide is CN(CCCC(F)(F)F)C1CCC(CS(=O)(=O)N2CCC(NC(=O)c3cc(C4CC4)on3)CC2)CC1.
What is the InChIKey of 5-cyclopropyl-N-[1-[[4-[methyl(4,4,4-trifluorobutyl)amino]cyclohexyl]methylsulfonyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide?
The InChIKey is YRSVLSCPNHQEEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37F3N4O4S/c1-30(12-2-11-24(25,26)27)20-7-3-17(4-8-20)16-36(33,34)31-13-9-19(10-14-31)28-23(32)21-15-22(35-29-21)18-5-6-18/h15,17-20H,2-14,16H2,1H3,(H,28,32).
What are the key properties of 5-cyclopropyl-N-[1-[[4-[methyl(4,4,4-trifluorobutyl)amino]cyclohexyl]methylsulfonyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide?
5-cyclopropyl-N-[1-[[4-[methyl(4,4,4-trifluorobutyl)amino]cyclohexyl]methylsulfonyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide has a molecular weight of 534.65 g/mol, XLogP of 3.91, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[1-[[4-[methyl(4,4,4-trifluorobutyl)amino]cyclohexyl]methylsulfonyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 155522833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).