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

C18H20F3N3O3S — CID 53195515

IUPACN-[[5-methyl-4-(4-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]-5-(trifluoromethyl)thiophene-2-carboxamide
SMILESCc1oc(CNC(=O)c2ccc(C(F)(F)F)s2)nc1C(=O)N1CCC(C)CC1
InChIInChI=1S/C18H20F3N3O3S/c1-10-5-7-24(8-6-10)17(26)15-11(2)27-14(23-15)9-22-16(25)12-3-4-13(28-12)18(19,20)21/h3-4,10H,5-9H2,1-2H3,(H,22,25)
InChIKeyARDJNYUPJUYAOI-UHFFFAOYSA-N
MW415.44 g/mol
LogP3.87
Rot. Bonds4

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

N-[[5-methyl-4-(4-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]-5-(trifluoromethyl)thiophene-2-carboxamide (PubChem CID 53195515) has the molecular formula C18H20F3N3O3S and a molecular weight of 415.44 g/mol. Its IUPAC name is N-[[5-methyl-4-(4-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]-5-(trifluoromethyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[5-methyl-4-(4-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]-5-(trifluoromethyl)thiophene-2-carboxamide
PubChem CID53195515
Molecular FormulaC18H20F3N3O3S
Molecular Weight415.44 g/mol
Exact Mass415.12
IUPAC NameN-[[5-methyl-4-(4-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]-5-(trifluoromethyl)thiophene-2-carboxamide
SMILESCc1oc(CNC(=O)c2ccc(C(F)(F)F)s2)nc1C(=O)N1CCC(C)CC1
InChIInChI=1S/C18H20F3N3O3S/c1-10-5-7-24(8-6-10)17(26)15-11(2)27-14(23-15)9-22-16(25)12-3-4-13(28-12)18(19,20)21/h3-4,10H,5-9H2,1-2H3,(H,22,25)
InChIKeyARDJNYUPJUYAOI-UHFFFAOYSA-N
XLogP3.87
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.44
LogP ≤ 53.87
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]-5-(trifluoromethyl)thiophene-2-carboxamide?
The IUPAC name of N-[[5-methyl-4-(4-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]-5-(trifluoromethyl)thiophene-2-carboxamide (CID 53195515) is N-[[5-methyl-4-(4-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]-5-(trifluoromethyl)thiophene-2-carboxamide.
What is the SMILES notation for N-[[5-methyl-4-(4-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]-5-(trifluoromethyl)thiophene-2-carboxamide?
The canonical SMILES for N-[[5-methyl-4-(4-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]-5-(trifluoromethyl)thiophene-2-carboxamide is Cc1oc(CNC(=O)c2ccc(C(F)(F)F)s2)nc1C(=O)N1CCC(C)CC1.
What is the InChIKey of N-[[5-methyl-4-(4-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]-5-(trifluoromethyl)thiophene-2-carboxamide?
The InChIKey is ARDJNYUPJUYAOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N3O3S/c1-10-5-7-24(8-6-10)17(26)15-11(2)27-14(23-15)9-22-16(25)12-3-4-13(28-12)18(19,20)21/h3-4,10H,5-9H2,1-2H3,(H,22,25).
What are the key properties of N-[[5-methyl-4-(4-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]-5-(trifluoromethyl)thiophene-2-carboxamide?
N-[[5-methyl-4-(4-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]-5-(trifluoromethyl)thiophene-2-carboxamide has a molecular weight of 415.44 g/mol, XLogP of 3.87, 4 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]-5-(trifluoromethyl)thiophene-2-carboxamide is sourced from PubChem (CID 53195515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).