N-[(1S)-2-(4-fluorophenyl)-1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-(methylamino)acetamide

C15H18FN3O2 — CID 70145358

IUPACN-[(1S)-2-(4-fluorophenyl)-1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-(methylamino)acetamide
SMILESCNCC(=O)N[C@@H](Cc1ccc(F)cc1)c1ncc(C)o1
InChIInChI=1S/C15H18FN3O2/c1-10-8-18-15(21-10)13(19-14(20)9-17-2)7-11-3-5-12(16)6-4-11/h3-6,8,13,17H,7,9H2,1-2H3,(H,19,20)/t13-/m0/s1
InChIKeyHGDDOWMYUZPWQU-ZDUSSCGKSA-N
MW291.33 g/mol
LogP1.74
Rot. Bonds6

About N-[(1S)-2-(4-fluorophenyl)-1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-(methylamino)acetamide

N-[(1S)-2-(4-fluorophenyl)-1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-(methylamino)acetamide (PubChem CID 70145358) has the molecular formula C15H18FN3O2 and a molecular weight of 291.33 g/mol. Its IUPAC name is N-[(1S)-2-(4-fluorophenyl)-1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-(methylamino)acetamide.

Molecular Properties

Compound NameN-[(1S)-2-(4-fluorophenyl)-1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-(methylamino)acetamide
PubChem CID70145358
Molecular FormulaC15H18FN3O2
Molecular Weight291.33 g/mol
Exact Mass291.14
IUPAC NameN-[(1S)-2-(4-fluorophenyl)-1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-(methylamino)acetamide
SMILESCNCC(=O)N[C@@H](Cc1ccc(F)cc1)c1ncc(C)o1
InChIInChI=1S/C15H18FN3O2/c1-10-8-18-15(21-10)13(19-14(20)9-17-2)7-11-3-5-12(16)6-4-11/h3-6,8,13,17H,7,9H2,1-2H3,(H,19,20)/t13-/m0/s1
InChIKeyHGDDOWMYUZPWQU-ZDUSSCGKSA-N
XLogP1.74
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-(4-fluorophenyl)-1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-(methylamino)acetamide?
The IUPAC name of N-[(1S)-2-(4-fluorophenyl)-1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-(methylamino)acetamide (CID 70145358) is N-[(1S)-2-(4-fluorophenyl)-1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-(methylamino)acetamide.
What is the SMILES notation for N-[(1S)-2-(4-fluorophenyl)-1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-(methylamino)acetamide?
The canonical SMILES for N-[(1S)-2-(4-fluorophenyl)-1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-(methylamino)acetamide is CNCC(=O)N[C@@H](Cc1ccc(F)cc1)c1ncc(C)o1.
What is the InChIKey of N-[(1S)-2-(4-fluorophenyl)-1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-(methylamino)acetamide?
The InChIKey is HGDDOWMYUZPWQU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H18FN3O2/c1-10-8-18-15(21-10)13(19-14(20)9-17-2)7-11-3-5-12(16)6-4-11/h3-6,8,13,17H,7,9H2,1-2H3,(H,19,20)/t13-/m0/s1.
What are the key properties of N-[(1S)-2-(4-fluorophenyl)-1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-(methylamino)acetamide?
N-[(1S)-2-(4-fluorophenyl)-1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-(methylamino)acetamide has a molecular weight of 291.33 g/mol, XLogP of 1.74, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-(4-fluorophenyl)-1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-(methylamino)acetamide is sourced from PubChem (CID 70145358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).