N-(4-fluorophenyl)-5-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-1,3-oxazol-2-amine

C18H13FN4O2 — CID 139441364

IUPACN-(4-fluorophenyl)-5-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-1,3-oxazol-2-amine
SMILESCc1noc(-c2cccc(-c3cnc(Nc4ccc(F)cc4)o3)c2)n1
InChIInChI=1S/C18H13FN4O2/c1-11-21-17(25-23-11)13-4-2-3-12(9-13)16-10-20-18(24-16)22-15-7-5-14(19)6-8-15/h2-10H,1H3,(H,20,22)
InChIKeyQVVGOOWJFYUQRT-UHFFFAOYSA-N
MW336.33 g/mol
LogP4.58
Rot. Bonds4

About N-(4-fluorophenyl)-5-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-1,3-oxazol-2-amine

N-(4-fluorophenyl)-5-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-1,3-oxazol-2-amine (PubChem CID 139441364) has the molecular formula C18H13FN4O2 and a molecular weight of 336.33 g/mol. Its IUPAC name is N-(4-fluorophenyl)-5-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-1,3-oxazol-2-amine.

Molecular Properties

Compound NameN-(4-fluorophenyl)-5-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-1,3-oxazol-2-amine
PubChem CID139441364
Molecular FormulaC18H13FN4O2
Molecular Weight336.33 g/mol
Exact Mass336.10
IUPAC NameN-(4-fluorophenyl)-5-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-1,3-oxazol-2-amine
SMILESCc1noc(-c2cccc(-c3cnc(Nc4ccc(F)cc4)o3)c2)n1
InChIInChI=1S/C18H13FN4O2/c1-11-21-17(25-23-11)13-4-2-3-12(9-13)16-10-20-18(24-16)22-15-7-5-14(19)6-8-15/h2-10H,1H3,(H,20,22)
InChIKeyQVVGOOWJFYUQRT-UHFFFAOYSA-N
XLogP4.58
TPSA76.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.33
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(4-fluorophenyl)-5-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-1,3-oxazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-5-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-1,3-oxazol-2-amine?
The IUPAC name of N-(4-fluorophenyl)-5-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-1,3-oxazol-2-amine (CID 139441364) is N-(4-fluorophenyl)-5-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-1,3-oxazol-2-amine.
What is the SMILES notation for N-(4-fluorophenyl)-5-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-1,3-oxazol-2-amine?
The canonical SMILES for N-(4-fluorophenyl)-5-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-1,3-oxazol-2-amine is Cc1noc(-c2cccc(-c3cnc(Nc4ccc(F)cc4)o3)c2)n1.
What is the InChIKey of N-(4-fluorophenyl)-5-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-1,3-oxazol-2-amine?
The InChIKey is QVVGOOWJFYUQRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN4O2/c1-11-21-17(25-23-11)13-4-2-3-12(9-13)16-10-20-18(24-16)22-15-7-5-14(19)6-8-15/h2-10H,1H3,(H,20,22).
What are the key properties of N-(4-fluorophenyl)-5-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-1,3-oxazol-2-amine?
N-(4-fluorophenyl)-5-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-1,3-oxazol-2-amine has a molecular weight of 336.33 g/mol, XLogP of 4.58, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-5-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-1,3-oxazol-2-amine is sourced from PubChem (CID 139441364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).