N,N,5-trimethyl-2-[1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]-1,3-oxazole-4-carboxamide

C19H22F3N3O4S — CID 53168502

IUPACN,N,5-trimethyl-2-[1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]-1,3-oxazole-4-carboxamide
SMILESCc1oc(C2CCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3)CC2)nc1C(=O)N(C)C
InChIInChI=1S/C19H22F3N3O4S/c1-12-16(18(26)24(2)3)23-17(29-12)13-8-10-25(11-9-13)30(27,28)15-6-4-14(5-7-15)19(20,21)22/h4-7,13H,8-11H2,1-3H3
InChIKeySVOPKVXKFOTCPE-UHFFFAOYSA-N
MW445.46 g/mol
LogP3.27
Rot. Bonds4

About N,N,5-trimethyl-2-[1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]-1,3-oxazole-4-carboxamide

N,N,5-trimethyl-2-[1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]-1,3-oxazole-4-carboxamide (PubChem CID 53168502) has the molecular formula C19H22F3N3O4S and a molecular weight of 445.46 g/mol. Its IUPAC name is N,N,5-trimethyl-2-[1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN,N,5-trimethyl-2-[1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]-1,3-oxazole-4-carboxamide
PubChem CID53168502
Molecular FormulaC19H22F3N3O4S
Molecular Weight445.46 g/mol
Exact Mass445.13
IUPAC NameN,N,5-trimethyl-2-[1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]-1,3-oxazole-4-carboxamide
SMILESCc1oc(C2CCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3)CC2)nc1C(=O)N(C)C
InChIInChI=1S/C19H22F3N3O4S/c1-12-16(18(26)24(2)3)23-17(29-12)13-8-10-25(11-9-13)30(27,28)15-6-4-14(5-7-15)19(20,21)22/h4-7,13H,8-11H2,1-3H3
InChIKeySVOPKVXKFOTCPE-UHFFFAOYSA-N
XLogP3.27
TPSA83.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.46
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N,N,5-trimethyl-2-[1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]-1,3-oxazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N,5-trimethyl-2-[1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]-1,3-oxazole-4-carboxamide?
The IUPAC name of N,N,5-trimethyl-2-[1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]-1,3-oxazole-4-carboxamide (CID 53168502) is N,N,5-trimethyl-2-[1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N,N,5-trimethyl-2-[1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for N,N,5-trimethyl-2-[1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]-1,3-oxazole-4-carboxamide is Cc1oc(C2CCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3)CC2)nc1C(=O)N(C)C.
What is the InChIKey of N,N,5-trimethyl-2-[1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]-1,3-oxazole-4-carboxamide?
The InChIKey is SVOPKVXKFOTCPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3N3O4S/c1-12-16(18(26)24(2)3)23-17(29-12)13-8-10-25(11-9-13)30(27,28)15-6-4-14(5-7-15)19(20,21)22/h4-7,13H,8-11H2,1-3H3.
What are the key properties of N,N,5-trimethyl-2-[1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]-1,3-oxazole-4-carboxamide?
N,N,5-trimethyl-2-[1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]-1,3-oxazole-4-carboxamide has a molecular weight of 445.46 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,5-trimethyl-2-[1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 53168502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).