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

C16H16F3N3O3S — CID 53195409

IUPACN-[[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]-5-(trifluoromethyl)thiophene-2-carboxamide
SMILESCc1oc(CNC(=O)c2ccc(C(F)(F)F)s2)nc1C(=O)N1CCCC1
InChIInChI=1S/C16H16F3N3O3S/c1-9-13(15(24)22-6-2-3-7-22)21-12(25-9)8-20-14(23)10-4-5-11(26-10)16(17,18)19/h4-5H,2-3,6-8H2,1H3,(H,20,23)
InChIKeyLSPLJXRMXODDSJ-UHFFFAOYSA-N
MW387.38 g/mol
LogP3.23
Rot. Bonds4

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

N-[[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]-5-(trifluoromethyl)thiophene-2-carboxamide (PubChem CID 53195409) has the molecular formula C16H16F3N3O3S and a molecular weight of 387.38 g/mol. Its IUPAC name is N-[[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]-5-(trifluoromethyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]-5-(trifluoromethyl)thiophene-2-carboxamide
PubChem CID53195409
Molecular FormulaC16H16F3N3O3S
Molecular Weight387.38 g/mol
Exact Mass387.09
IUPAC NameN-[[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]-5-(trifluoromethyl)thiophene-2-carboxamide
SMILESCc1oc(CNC(=O)c2ccc(C(F)(F)F)s2)nc1C(=O)N1CCCC1
InChIInChI=1S/C16H16F3N3O3S/c1-9-13(15(24)22-6-2-3-7-22)21-12(25-9)8-20-14(23)10-4-5-11(26-10)16(17,18)19/h4-5H,2-3,6-8H2,1H3,(H,20,23)
InChIKeyLSPLJXRMXODDSJ-UHFFFAOYSA-N
XLogP3.23
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.38
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]-5-(trifluoromethyl)thiophene-2-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

1-{4-[5-Methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-YL]piperidin-1-YL}-2-(thiophen-2-YL)ethan-1-one
CID 53168365
1-{4-[5-Methyl-4-(piperidinocarbonyl)-1,3-oxazol-2-YL]piperidino}-2-(2-thienyl)-1-ethanone
CID 53168395
5-Methyl-2-(propan-2-YL)-N-[(thiophen-2-YL)methyl]-1,3-oxazole-4-carboxamide
CID 53195229
[4-[5-Methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 71837692
4-[5-Methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-YL]-1-(5-methylthiophene-2-carbonyl)piperidine
CID 71837742
(5-Methyl-2-{1-[(3-methyl-2-thienyl)carbonyl]-4-piperidyl}-1,3-oxazol-4-YL)(1-pyrrolidinyl)methanone
CID 71837799
N,N,5-Trimethyl-2-[1-(thiophene-2-carbonyl)piperidin-4-YL]-1,3-oxazole-4-carboxamide
CID 71837829
N,N,5-Trimethyl-2-[1-(5-methylthiophene-2-carbonyl)piperidin-4-YL]-1,3-oxazole-4-carboxamide
CID 71837862
N~4~,N~4~-Diethyl-5-methyl-2-({[(5-methyl-2-thienyl)carbonyl]amino}methyl)-1,3-oxazole-4-carboxamide
CID 53195587
5-methyl-2-thiophen-2-yl-N-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide
CID 45892303
N-{[5-Methyl-4-(4-methylpiperidine-1-carbonyl)-1,3-oxazol-2-YL]methyl}-5-(trifluoromethyl)thiophene-2-carboxamide
CID 53195515
3-(difluoromethylsulfanyl)-N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]thiophene-2-carboxamide
CID 86936641

Frequently Asked Questions

What is the IUPAC name of N-[[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]-5-(trifluoromethyl)thiophene-2-carboxamide?
The IUPAC name of N-[[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]-5-(trifluoromethyl)thiophene-2-carboxamide (CID 53195409) is N-[[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]-5-(trifluoromethyl)thiophene-2-carboxamide.
What is the SMILES notation for N-[[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]-5-(trifluoromethyl)thiophene-2-carboxamide?
The canonical SMILES for N-[[5-methyl-4-(pyrrolidine-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)N1CCCC1.
What is the InChIKey of N-[[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]-5-(trifluoromethyl)thiophene-2-carboxamide?
The InChIKey is LSPLJXRMXODDSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N3O3S/c1-9-13(15(24)22-6-2-3-7-22)21-12(25-9)8-20-14(23)10-4-5-11(26-10)16(17,18)19/h4-5H,2-3,6-8H2,1H3,(H,20,23).
What are the key properties of N-[[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]-5-(trifluoromethyl)thiophene-2-carboxamide?
N-[[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]-5-(trifluoromethyl)thiophene-2-carboxamide has a molecular weight of 387.38 g/mol, XLogP of 3.23, 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-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]-5-(trifluoromethyl)thiophene-2-carboxamide is sourced from PubChem (CID 53195409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).