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

C22H33F3N4O4S — CID 155566734

IUPAC5-cyclopropyl-N-[1-[[4-(3,3,3-trifluoropropylamino)cyclohexyl]methylsulfonyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide
SMILESO=C(NC1CCN(S(=O)(=O)CC2CCC(NCCC(F)(F)F)CC2)CC1)c1cc(C2CC2)on1
InChIInChI=1S/C22H33F3N4O4S/c23-22(24,25)9-10-26-17-5-1-15(2-6-17)14-34(31,32)29-11-7-18(8-12-29)27-21(30)19-13-20(33-28-19)16-3-4-16/h13,15-18,26H,1-12,14H2,(H,27,30)
InChIKeyPLOCIYCXSGMYJN-UHFFFAOYSA-N
MW506.59 g/mol
LogP3.18
Rot. Bonds9

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

5-cyclopropyl-N-[1-[[4-(3,3,3-trifluoropropylamino)cyclohexyl]methylsulfonyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide (PubChem CID 155566734) has the molecular formula C22H33F3N4O4S and a molecular weight of 506.59 g/mol. Its IUPAC name is 5-cyclopropyl-N-[1-[[4-(3,3,3-trifluoropropylamino)cyclohexyl]methylsulfonyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[1-[[4-(3,3,3-trifluoropropylamino)cyclohexyl]methylsulfonyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide
PubChem CID155566734
Molecular FormulaC22H33F3N4O4S
Molecular Weight506.59 g/mol
Exact Mass506.22
IUPAC Name5-cyclopropyl-N-[1-[[4-(3,3,3-trifluoropropylamino)cyclohexyl]methylsulfonyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide
SMILESO=C(NC1CCN(S(=O)(=O)CC2CCC(NCCC(F)(F)F)CC2)CC1)c1cc(C2CC2)on1
InChIInChI=1S/C22H33F3N4O4S/c23-22(24,25)9-10-26-17-5-1-15(2-6-17)14-34(31,32)29-11-7-18(8-12-29)27-21(30)19-13-20(33-28-19)16-3-4-16/h13,15-18,26H,1-12,14H2,(H,27,30)
InChIKeyPLOCIYCXSGMYJN-UHFFFAOYSA-N
XLogP3.18
TPSA104.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.59
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-cyclopropyl-N-[1-[[4-(dimethylamino)cyclohexyl]methylsulfonyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide
CID 155527784
5-cyclopropyl-N-[(1S,5R)-8-[[4-(2-pyrrolidin-1-ylethylamino)piperidin-1-yl]sulfonylmethyl]-3-bicyclo[3.2.1]octanyl]-1,2-oxazole-3-carboxamide
CID 146426797
N-(1-benzylsulfonylpiperidin-4-yl)-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 122140778
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-[1-(2-aminoacetyl)piperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 168509992
5-cyclopropyl-N-piperidin-4-yl-1,2-oxazole-3-carboxamide;2,2,2-trifluoroacetic acid
CID 154891187
N-[1-(2-aminoacetyl)piperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;hydrochloride
CID 171338035
5-cyclopropyl-N-[1-[(1S,2S)-2-hydroxycyclohexyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide
CID 124612300
5-cyclopropyl-N-[(2S,4R)-2-methyl-1-(2-methylpropylsulfonyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide
CID 145040369
tert-butyl N-[1-[[(1R,5S)-3-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-8-azabicyclo[3.2.1]octan-8-yl]sulfonyl]piperidin-4-yl]carbamate
CID 118947331
5-cyclopropyl-N-[4-(3-hydroxy-2-oxopentyl)cyclohexyl]-1,2-oxazole-3-carboxamide
CID 157445364
5-cyclopropyl-N-[(2S,4S)-2-methyl-1-[4-(2-methylpropyl)piperidin-1-yl]sulfonylpiperidin-4-yl]-1,2-oxazole-3-carboxamide
CID 148506563

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[1-[[4-(3,3,3-trifluoropropylamino)cyclohexyl]methylsulfonyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[1-[[4-(3,3,3-trifluoropropylamino)cyclohexyl]methylsulfonyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide (CID 155566734) is 5-cyclopropyl-N-[1-[[4-(3,3,3-trifluoropropylamino)cyclohexyl]methylsulfonyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[1-[[4-(3,3,3-trifluoropropylamino)cyclohexyl]methylsulfonyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[1-[[4-(3,3,3-trifluoropropylamino)cyclohexyl]methylsulfonyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide is O=C(NC1CCN(S(=O)(=O)CC2CCC(NCCC(F)(F)F)CC2)CC1)c1cc(C2CC2)on1.
What is the InChIKey of 5-cyclopropyl-N-[1-[[4-(3,3,3-trifluoropropylamino)cyclohexyl]methylsulfonyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide?
The InChIKey is PLOCIYCXSGMYJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33F3N4O4S/c23-22(24,25)9-10-26-17-5-1-15(2-6-17)14-34(31,32)29-11-7-18(8-12-29)27-21(30)19-13-20(33-28-19)16-3-4-16/h13,15-18,26H,1-12,14H2,(H,27,30).
What are the key properties of 5-cyclopropyl-N-[1-[[4-(3,3,3-trifluoropropylamino)cyclohexyl]methylsulfonyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide?
5-cyclopropyl-N-[1-[[4-(3,3,3-trifluoropropylamino)cyclohexyl]methylsulfonyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide has a molecular weight of 506.59 g/mol, XLogP of 3.18, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[1-[[4-(3,3,3-trifluoropropylamino)cyclohexyl]methylsulfonyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 155566734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).