N-[[5-methyl-4-(4-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]-4-(trifluoromethyl)benzenesulfonamide

C19H22F3N3O4S — CID 53195564

IUPACN-[[5-methyl-4-(4-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]-4-(trifluoromethyl)benzenesulfonamide
SMILESCc1oc(CNS(=O)(=O)c2ccc(C(F)(F)F)cc2)nc1C(=O)N1CCC(C)CC1
InChIInChI=1S/C19H22F3N3O4S/c1-12-7-9-25(10-8-12)18(26)17-13(2)29-16(24-17)11-23-30(27,28)15-5-3-14(4-6-15)19(20,21)22/h3-6,12,23H,7-11H2,1-2H3
InChIKeyIYUPONXDIGIRBJ-UHFFFAOYSA-N
MW445.46 g/mol
LogP3.35
Rot. Bonds5

About N-[[5-methyl-4-(4-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]-4-(trifluoromethyl)benzenesulfonamide

N-[[5-methyl-4-(4-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]-4-(trifluoromethyl)benzenesulfonamide (PubChem CID 53195564) has the molecular formula C19H22F3N3O4S and a molecular weight of 445.46 g/mol. Its IUPAC name is N-[[5-methyl-4-(4-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]-4-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[[5-methyl-4-(4-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]-4-(trifluoromethyl)benzenesulfonamide
PubChem CID53195564
Molecular FormulaC19H22F3N3O4S
Molecular Weight445.46 g/mol
Exact Mass445.13
IUPAC NameN-[[5-methyl-4-(4-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]-4-(trifluoromethyl)benzenesulfonamide
SMILESCc1oc(CNS(=O)(=O)c2ccc(C(F)(F)F)cc2)nc1C(=O)N1CCC(C)CC1
InChIInChI=1S/C19H22F3N3O4S/c1-12-7-9-25(10-8-12)18(26)17-13(2)29-16(24-17)11-23-30(27,28)15-5-3-14(4-6-15)19(20,21)22/h3-6,12,23H,7-11H2,1-2H3
InChIKeyIYUPONXDIGIRBJ-UHFFFAOYSA-N
XLogP3.35
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.46
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[5-methyl-4-(4-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]-4-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[[5-methyl-4-(4-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]-4-(trifluoromethyl)benzenesulfonamide (CID 53195564) is N-[[5-methyl-4-(4-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]-4-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[[5-methyl-4-(4-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]-4-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[[5-methyl-4-(4-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]-4-(trifluoromethyl)benzenesulfonamide is Cc1oc(CNS(=O)(=O)c2ccc(C(F)(F)F)cc2)nc1C(=O)N1CCC(C)CC1.
What is the InChIKey of N-[[5-methyl-4-(4-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]-4-(trifluoromethyl)benzenesulfonamide?
The InChIKey is IYUPONXDIGIRBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3N3O4S/c1-12-7-9-25(10-8-12)18(26)17-13(2)29-16(24-17)11-23-30(27,28)15-5-3-14(4-6-15)19(20,21)22/h3-6,12,23H,7-11H2,1-2H3.
What are the key properties of N-[[5-methyl-4-(4-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]-4-(trifluoromethyl)benzenesulfonamide?
N-[[5-methyl-4-(4-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]-4-(trifluoromethyl)benzenesulfonamide has a molecular weight of 445.46 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-methyl-4-(4-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]-4-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 53195564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).