N-(3-fluorophenyl)-2-[methyl-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]amino]acetamide

C17H16FN3O2S — CID 9250518

IUPACN-(3-fluorophenyl)-2-[methyl-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]amino]acetamide
SMILESCN(CC(=O)Nc1cccc(F)c1)Cc1coc(-c2cccs2)n1
InChIInChI=1S/C17H16FN3O2S/c1-21(10-16(22)19-13-5-2-4-12(18)8-13)9-14-11-23-17(20-14)15-6-3-7-24-15/h2-8,11H,9-10H2,1H3,(H,19,22)
InChIKeyUKOOGBWMOKBVCH-UHFFFAOYSA-N
MW345.40 g/mol
LogP3.61
Rot. Bonds6

About N-(3-fluorophenyl)-2-[methyl-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]amino]acetamide

N-(3-fluorophenyl)-2-[methyl-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]amino]acetamide (PubChem CID 9250518) has the molecular formula C17H16FN3O2S and a molecular weight of 345.40 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2-[methyl-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]amino]acetamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2-[methyl-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]amino]acetamide
PubChem CID9250518
Molecular FormulaC17H16FN3O2S
Molecular Weight345.40 g/mol
Exact Mass345.09
IUPAC NameN-(3-fluorophenyl)-2-[methyl-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]amino]acetamide
SMILESCN(CC(=O)Nc1cccc(F)c1)Cc1coc(-c2cccs2)n1
InChIInChI=1S/C17H16FN3O2S/c1-21(10-16(22)19-13-5-2-4-12(18)8-13)9-14-11-23-17(20-14)15-6-3-7-24-15/h2-8,11H,9-10H2,1H3,(H,19,22)
InChIKeyUKOOGBWMOKBVCH-UHFFFAOYSA-N
XLogP3.61
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2-[methyl-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]amino]acetamide?
The IUPAC name of N-(3-fluorophenyl)-2-[methyl-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]amino]acetamide (CID 9250518) is N-(3-fluorophenyl)-2-[methyl-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]amino]acetamide.
What is the SMILES notation for N-(3-fluorophenyl)-2-[methyl-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]amino]acetamide?
The canonical SMILES for N-(3-fluorophenyl)-2-[methyl-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]amino]acetamide is CN(CC(=O)Nc1cccc(F)c1)Cc1coc(-c2cccs2)n1.
What is the InChIKey of N-(3-fluorophenyl)-2-[methyl-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]amino]acetamide?
The InChIKey is UKOOGBWMOKBVCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O2S/c1-21(10-16(22)19-13-5-2-4-12(18)8-13)9-14-11-23-17(20-14)15-6-3-7-24-15/h2-8,11H,9-10H2,1H3,(H,19,22).
What are the key properties of N-(3-fluorophenyl)-2-[methyl-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]amino]acetamide?
N-(3-fluorophenyl)-2-[methyl-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]amino]acetamide has a molecular weight of 345.40 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-2-[methyl-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]amino]acetamide is sourced from PubChem (CID 9250518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).