N-[(2S)-2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-3-thiophen-2-yl-1,2-oxazole-5-carboxamide

C18H18FN3O2S — CID 51498223

IUPACN-[(2S)-2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-3-thiophen-2-yl-1,2-oxazole-5-carboxamide
SMILESCN(C)[C@H](CNC(=O)c1cc(-c2cccs2)no1)c1ccc(F)cc1
InChIInChI=1S/C18H18FN3O2S/c1-22(2)15(12-5-7-13(19)8-6-12)11-20-18(23)16-10-14(21-24-16)17-4-3-9-25-17/h3-10,15H,11H2,1-2H3,(H,20,23)/t15-/m1/s1
InChIKeyYJUBIOYIVGXTOR-OAHLLOKOSA-N
MW359.43 g/mol
LogP3.57
Rot. Bonds6

About N-[(2S)-2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-3-thiophen-2-yl-1,2-oxazole-5-carboxamide

N-[(2S)-2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-3-thiophen-2-yl-1,2-oxazole-5-carboxamide (PubChem CID 51498223) has the molecular formula C18H18FN3O2S and a molecular weight of 359.43 g/mol. Its IUPAC name is N-[(2S)-2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-3-thiophen-2-yl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-3-thiophen-2-yl-1,2-oxazole-5-carboxamide
PubChem CID51498223
Molecular FormulaC18H18FN3O2S
Molecular Weight359.43 g/mol
Exact Mass359.11
IUPAC NameN-[(2S)-2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-3-thiophen-2-yl-1,2-oxazole-5-carboxamide
SMILESCN(C)[C@H](CNC(=O)c1cc(-c2cccs2)no1)c1ccc(F)cc1
InChIInChI=1S/C18H18FN3O2S/c1-22(2)15(12-5-7-13(19)8-6-12)11-20-18(23)16-10-14(21-24-16)17-4-3-9-25-17/h3-10,15H,11H2,1-2H3,(H,20,23)/t15-/m1/s1
InChIKeyYJUBIOYIVGXTOR-OAHLLOKOSA-N
XLogP3.57
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-3-thiophen-2-yl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[(2S)-2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-3-thiophen-2-yl-1,2-oxazole-5-carboxamide (CID 51498223) is N-[(2S)-2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-3-thiophen-2-yl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[(2S)-2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-3-thiophen-2-yl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[(2S)-2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-3-thiophen-2-yl-1,2-oxazole-5-carboxamide is CN(C)[C@H](CNC(=O)c1cc(-c2cccs2)no1)c1ccc(F)cc1.
What is the InChIKey of N-[(2S)-2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-3-thiophen-2-yl-1,2-oxazole-5-carboxamide?
The InChIKey is YJUBIOYIVGXTOR-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H18FN3O2S/c1-22(2)15(12-5-7-13(19)8-6-12)11-20-18(23)16-10-14(21-24-16)17-4-3-9-25-17/h3-10,15H,11H2,1-2H3,(H,20,23)/t15-/m1/s1.
What are the key properties of N-[(2S)-2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-3-thiophen-2-yl-1,2-oxazole-5-carboxamide?
N-[(2S)-2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-3-thiophen-2-yl-1,2-oxazole-5-carboxamide has a molecular weight of 359.43 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-3-thiophen-2-yl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 51498223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).