N-[(1S)-2-(4-aminophenyl)-1-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]acetamide

C18H16F2N4O2 — CID 152872784

IUPACN-[(1S)-2-(4-aminophenyl)-1-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]acetamide
SMILESCC(=O)N[C@@H](Cc1ccc(N)cc1)c1nnc(-c2ccc(F)cc2F)o1
InChIInChI=1S/C18H16F2N4O2/c1-10(25)22-16(8-11-2-5-13(21)6-3-11)18-24-23-17(26-18)14-7-4-12(19)9-15(14)20/h2-7,9,16H,8,21H2,1H3,(H,22,25)/t16-/m0/s1
InChIKeyTZSOPIMYVJDKNT-INIZCTEOSA-N
MW358.35 g/mol
LogP3.02
Rot. Bonds5

About N-[(1S)-2-(4-aminophenyl)-1-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]acetamide

N-[(1S)-2-(4-aminophenyl)-1-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]acetamide (PubChem CID 152872784) has the molecular formula C18H16F2N4O2 and a molecular weight of 358.35 g/mol. Its IUPAC name is N-[(1S)-2-(4-aminophenyl)-1-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[(1S)-2-(4-aminophenyl)-1-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]acetamide
PubChem CID152872784
Molecular FormulaC18H16F2N4O2
Molecular Weight358.35 g/mol
Exact Mass358.12
IUPAC NameN-[(1S)-2-(4-aminophenyl)-1-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]acetamide
SMILESCC(=O)N[C@@H](Cc1ccc(N)cc1)c1nnc(-c2ccc(F)cc2F)o1
InChIInChI=1S/C18H16F2N4O2/c1-10(25)22-16(8-11-2-5-13(21)6-3-11)18-24-23-17(26-18)14-7-4-12(19)9-15(14)20/h2-7,9,16H,8,21H2,1H3,(H,22,25)/t16-/m0/s1
InChIKeyTZSOPIMYVJDKNT-INIZCTEOSA-N
XLogP3.02
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.35
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-(4-aminophenyl)-1-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]acetamide?
The IUPAC name of N-[(1S)-2-(4-aminophenyl)-1-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]acetamide (CID 152872784) is N-[(1S)-2-(4-aminophenyl)-1-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]acetamide.
What is the SMILES notation for N-[(1S)-2-(4-aminophenyl)-1-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]acetamide?
The canonical SMILES for N-[(1S)-2-(4-aminophenyl)-1-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]acetamide is CC(=O)N[C@@H](Cc1ccc(N)cc1)c1nnc(-c2ccc(F)cc2F)o1.
What is the InChIKey of N-[(1S)-2-(4-aminophenyl)-1-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]acetamide?
The InChIKey is TZSOPIMYVJDKNT-INIZCTEOSA-N. The full InChI is InChI=1S/C18H16F2N4O2/c1-10(25)22-16(8-11-2-5-13(21)6-3-11)18-24-23-17(26-18)14-7-4-12(19)9-15(14)20/h2-7,9,16H,8,21H2,1H3,(H,22,25)/t16-/m0/s1.
What are the key properties of N-[(1S)-2-(4-aminophenyl)-1-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]acetamide?
N-[(1S)-2-(4-aminophenyl)-1-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]acetamide has a molecular weight of 358.35 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-(4-aminophenyl)-1-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]acetamide is sourced from PubChem (CID 152872784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).