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

C17H12FN5O — CID 158687708

IUPACN-(2-fluorophenyl)-5-[3-(1H-1,2,4-triazol-5-yl)phenyl]-1,3-oxazol-2-amine
SMILESFc1ccccc1Nc1ncc(-c2cccc(-c3ncn[nH]3)c2)o1
InChIInChI=1S/C17H12FN5O/c18-13-6-1-2-7-14(13)22-17-19-9-15(24-17)11-4-3-5-12(8-11)16-20-10-21-23-16/h1-10H,(H,19,22)(H,20,21,23)
InChIKeyZLRQVCUVHVFBEP-UHFFFAOYSA-N
MW321.32 g/mol
LogP4.01
Rot. Bonds4

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

N-(2-fluorophenyl)-5-[3-(1H-1,2,4-triazol-5-yl)phenyl]-1,3-oxazol-2-amine (PubChem CID 158687708) has the molecular formula C17H12FN5O and a molecular weight of 321.32 g/mol. Its IUPAC name is N-(2-fluorophenyl)-5-[3-(1H-1,2,4-triazol-5-yl)phenyl]-1,3-oxazol-2-amine.

Molecular Properties

Compound NameN-(2-fluorophenyl)-5-[3-(1H-1,2,4-triazol-5-yl)phenyl]-1,3-oxazol-2-amine
PubChem CID158687708
Molecular FormulaC17H12FN5O
Molecular Weight321.32 g/mol
Exact Mass321.10
IUPAC NameN-(2-fluorophenyl)-5-[3-(1H-1,2,4-triazol-5-yl)phenyl]-1,3-oxazol-2-amine
SMILESFc1ccccc1Nc1ncc(-c2cccc(-c3ncn[nH]3)c2)o1
InChIInChI=1S/C17H12FN5O/c18-13-6-1-2-7-14(13)22-17-19-9-15(24-17)11-4-3-5-12(8-11)16-20-10-21-23-16/h1-10H,(H,19,22)(H,20,21,23)
InChIKeyZLRQVCUVHVFBEP-UHFFFAOYSA-N
XLogP4.01
TPSA79.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.32
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-5-[3-(1H-1,2,4-triazol-5-yl)phenyl]-1,3-oxazol-2-amine?
The IUPAC name of N-(2-fluorophenyl)-5-[3-(1H-1,2,4-triazol-5-yl)phenyl]-1,3-oxazol-2-amine (CID 158687708) is N-(2-fluorophenyl)-5-[3-(1H-1,2,4-triazol-5-yl)phenyl]-1,3-oxazol-2-amine.
What is the SMILES notation for N-(2-fluorophenyl)-5-[3-(1H-1,2,4-triazol-5-yl)phenyl]-1,3-oxazol-2-amine?
The canonical SMILES for N-(2-fluorophenyl)-5-[3-(1H-1,2,4-triazol-5-yl)phenyl]-1,3-oxazol-2-amine is Fc1ccccc1Nc1ncc(-c2cccc(-c3ncn[nH]3)c2)o1.
What is the InChIKey of N-(2-fluorophenyl)-5-[3-(1H-1,2,4-triazol-5-yl)phenyl]-1,3-oxazol-2-amine?
The InChIKey is ZLRQVCUVHVFBEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FN5O/c18-13-6-1-2-7-14(13)22-17-19-9-15(24-17)11-4-3-5-12(8-11)16-20-10-21-23-16/h1-10H,(H,19,22)(H,20,21,23).
What are the key properties of N-(2-fluorophenyl)-5-[3-(1H-1,2,4-triazol-5-yl)phenyl]-1,3-oxazol-2-amine?
N-(2-fluorophenyl)-5-[3-(1H-1,2,4-triazol-5-yl)phenyl]-1,3-oxazol-2-amine has a molecular weight of 321.32 g/mol, XLogP of 4.01, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-5-[3-(1H-1,2,4-triazol-5-yl)phenyl]-1,3-oxazol-2-amine is sourced from PubChem (CID 158687708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).