2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide

C16H16F3N3O3S — CID 24979135

IUPAC2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
SMILESCc1cc(NC(=O)CSCC(=O)NCc2cccc(C(F)(F)F)c2)no1
InChIInChI=1S/C16H16F3N3O3S/c1-10-5-13(22-25-10)21-15(24)9-26-8-14(23)20-7-11-3-2-4-12(6-11)16(17,18)19/h2-6H,7-9H2,1H3,(H,20,23)(H,21,22,24)
InChIKeyGKBFAUSEZKYUGU-UHFFFAOYSA-N
MW387.38 g/mol
LogP2.99
Rot. Bonds7

About 2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide

2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide (PubChem CID 24979135) has the molecular formula C16H16F3N3O3S and a molecular weight of 387.38 g/mol. Its IUPAC name is 2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
PubChem CID24979135
Molecular FormulaC16H16F3N3O3S
Molecular Weight387.38 g/mol
Exact Mass387.09
IUPAC Name2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
SMILESCc1cc(NC(=O)CSCC(=O)NCc2cccc(C(F)(F)F)c2)no1
InChIInChI=1S/C16H16F3N3O3S/c1-10-5-13(22-25-10)21-15(24)9-26-8-14(23)20-7-11-3-2-4-12(6-11)16(17,18)19/h2-6H,7-9H2,1H3,(H,20,23)(H,21,22,24)
InChIKeyGKBFAUSEZKYUGU-UHFFFAOYSA-N
XLogP2.99
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.38
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide 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

N-(5-Methyl-1,2-oxazol-3-YL)-2-{[(2-methylphenyl)methyl]sulfanyl}acetamide
CID 2498562
N-(5-methyl-1,2-oxazol-3-yl)-3-(4-methylphenyl)sulfanylpropanamide
CID 7254602
2-[ethyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 2113597
N-benzyl-N'-(5-methyl-1,2-oxazol-3-yl)pentanediamide
CID 3153700
N-(5-methyl-1,2-oxazol-3-yl)-2-{[6-methyl-4-oxo-3-(2-phenylethyl)-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide
CID 4065616
N-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]sulfanylacetamide
CID 24979159
[1-[Benzyl(methyl)amino]-1-oxopropan-2-yl] 2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetate
CID 24980900
2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]acetamide
CID 24981607
N-(5-methyl-3-isoxazolyl)-2-[(4-nitrobenzyl)thio]acetamide
CID 2227372
N-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanylacetamide
CID 2473486
N-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxo-2-(1-phenylethylamino)ethyl]sulfanylacetamide
CID 4882938
2-[2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 16291737

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide (CID 24979135) is 2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide is Cc1cc(NC(=O)CSCC(=O)NCc2cccc(C(F)(F)F)c2)no1.
What is the InChIKey of 2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide?
The InChIKey is GKBFAUSEZKYUGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N3O3S/c1-10-5-13(22-25-10)21-15(24)9-26-8-14(23)20-7-11-3-2-4-12(6-11)16(17,18)19/h2-6H,7-9H2,1H3,(H,20,23)(H,21,22,24).
What are the key properties of 2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide?
2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide has a molecular weight of 387.38 g/mol, XLogP of 2.99, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 24979135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).