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

C17H19F3N4O3 — CID 2113597

IUPAC2-[ethyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESCCN(CC(=O)Nc1cc(C)on1)CC(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C17H19F3N4O3/c1-3-24(10-16(26)22-14-8-11(2)27-23-14)9-15(25)21-13-7-5-4-6-12(13)17(18,19)20/h4-8H,3,9-10H2,1-2H3,(H,21,25)(H,22,23,26)
InChIKeyYVJQRYUJEGFLQA-UHFFFAOYSA-N
MW384.36 g/mol
LogP2.90
Rot. Bonds7

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

2-[ethyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide (PubChem CID 2113597) has the molecular formula C17H19F3N4O3 and a molecular weight of 384.36 g/mol. Its IUPAC name is 2-[ethyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[ethyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide
PubChem CID2113597
Molecular FormulaC17H19F3N4O3
Molecular Weight384.36 g/mol
Exact Mass384.14
IUPAC Name2-[ethyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESCCN(CC(=O)Nc1cc(C)on1)CC(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C17H19F3N4O3/c1-3-24(10-16(26)22-14-8-11(2)27-23-14)9-15(25)21-13-7-5-4-6-12(13)17(18,19)20/h4-8H,3,9-10H2,1-2H3,(H,21,25)(H,22,23,26)
InChIKeyYVJQRYUJEGFLQA-UHFFFAOYSA-N
XLogP2.90
TPSA87.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.36
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[ethyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide (CID 2113597) is 2-[ethyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[ethyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[ethyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide is CCN(CC(=O)Nc1cc(C)on1)CC(=O)Nc1ccccc1C(F)(F)F.
What is the InChIKey of 2-[ethyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is YVJQRYUJEGFLQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N4O3/c1-3-24(10-16(26)22-14-8-11(2)27-23-14)9-15(25)21-13-7-5-4-6-12(13)17(18,19)20/h4-8H,3,9-10H2,1-2H3,(H,21,25)(H,22,23,26).
What are the key properties of 2-[ethyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide?
2-[ethyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 384.36 g/mol, XLogP of 2.90, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 2113597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).