2-[ethyl-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]amino]-N-(thiophen-2-ylmethyl)acetamide

C19H19F3N4O2S — CID 24612062

IUPAC2-[ethyl-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]amino]-N-(thiophen-2-ylmethyl)acetamide
SMILESCCN(CC(=O)NCc1cccs1)Cc1nc(-c2cccc(C(F)(F)F)c2)no1
InChIInChI=1S/C19H19F3N4O2S/c1-2-26(11-16(27)23-10-15-7-4-8-29-15)12-17-24-18(25-28-17)13-5-3-6-14(9-13)19(20,21)22/h3-9H,2,10-12H2,1H3,(H,23,27)
InChIKeyKNLOAVREDSSQMM-UHFFFAOYSA-N
MW424.45 g/mol
LogP3.96
Rot. Bonds8

About 2-[ethyl-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]amino]-N-(thiophen-2-ylmethyl)acetamide

2-[ethyl-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]amino]-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 24612062) has the molecular formula C19H19F3N4O2S and a molecular weight of 424.45 g/mol. Its IUPAC name is 2-[ethyl-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]amino]-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[ethyl-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]amino]-N-(thiophen-2-ylmethyl)acetamide
PubChem CID24612062
Molecular FormulaC19H19F3N4O2S
Molecular Weight424.45 g/mol
Exact Mass424.12
IUPAC Name2-[ethyl-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]amino]-N-(thiophen-2-ylmethyl)acetamide
SMILESCCN(CC(=O)NCc1cccs1)Cc1nc(-c2cccc(C(F)(F)F)c2)no1
InChIInChI=1S/C19H19F3N4O2S/c1-2-26(11-16(27)23-10-15-7-4-8-29-15)12-17-24-18(25-28-17)13-5-3-6-14(9-13)19(20,21)22/h3-9H,2,10-12H2,1H3,(H,23,27)
InChIKeyKNLOAVREDSSQMM-UHFFFAOYSA-N
XLogP3.96
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.45
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-({3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)thiophene-2-carboxamide
CID 2809467
N-methyl-1-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]-N-(2-thienylmethyl)methanamine
CID 16191033
N-(2-phenylethyl)-3-(2-thienyl)-1,2,4-oxadiazole-5-carboxamide
CID 1506858
N-(4-fluorobenzyl)-3-(2-thienyl)-1,2,4-oxadiazole-5-carboxamide
CID 1508621
N-(4-ethylbenzyl)-3-[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]propionamide
CID 9550880
N-methyl-N-{[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]methyl}-1-(2-thienyl)ethanamine
CID 16191290
4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(thiophen-3-ylmethyl)piperidine-1-carboxamide
CID 118712630
5-[(3-Phenyl-1,2,4-oxadiazol-5-yl)methyl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
CID 16190769
N-methyl-1-{3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl}-N-[(thiophen-2-yl)methyl]methanamine
CID 25370031
N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-2-thiophenecarboxamide
CID 1250645
N-isopropyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-2-(phenylthio)acetamide
CID 2226307
N-{[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-N-(propan-2-yl)thiophene-2-carboxamide
CID 2231249

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]amino]-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-[ethyl-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]amino]-N-(thiophen-2-ylmethyl)acetamide (CID 24612062) is 2-[ethyl-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]amino]-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[ethyl-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]amino]-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-[ethyl-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]amino]-N-(thiophen-2-ylmethyl)acetamide is CCN(CC(=O)NCc1cccs1)Cc1nc(-c2cccc(C(F)(F)F)c2)no1.
What is the InChIKey of 2-[ethyl-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]amino]-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is KNLOAVREDSSQMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N4O2S/c1-2-26(11-16(27)23-10-15-7-4-8-29-15)12-17-24-18(25-28-17)13-5-3-6-14(9-13)19(20,21)22/h3-9H,2,10-12H2,1H3,(H,23,27).
What are the key properties of 2-[ethyl-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]amino]-N-(thiophen-2-ylmethyl)acetamide?
2-[ethyl-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]amino]-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 424.45 g/mol, XLogP of 3.96, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]amino]-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 24612062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).