2-[1-[(2-fluorophenyl)methyl]-5-(1,3-oxazol-4-yl)-1,2,4-triazol-3-yl]pyridin-4-amine

C17H13FN6O — CID 69093787

IUPAC2-[1-[(2-fluorophenyl)methyl]-5-(1,3-oxazol-4-yl)-1,2,4-triazol-3-yl]pyridin-4-amine
SMILESNc1ccnc(-c2nc(-c3cocn3)n(Cc3ccccc3F)n2)c1
InChIInChI=1S/C17H13FN6O/c18-13-4-2-1-3-11(13)8-24-17(15-9-25-10-21-15)22-16(23-24)14-7-12(19)5-6-20-14/h1-7,9-10H,8H2,(H2,19,20)
InChIKeyLWYDSLPIFHGUGN-UHFFFAOYSA-N
MW336.33 g/mol
LogP2.76
Rot. Bonds4

About 2-[1-[(2-fluorophenyl)methyl]-5-(1,3-oxazol-4-yl)-1,2,4-triazol-3-yl]pyridin-4-amine

2-[1-[(2-fluorophenyl)methyl]-5-(1,3-oxazol-4-yl)-1,2,4-triazol-3-yl]pyridin-4-amine (PubChem CID 69093787) has the molecular formula C17H13FN6O and a molecular weight of 336.33 g/mol. Its IUPAC name is 2-[1-[(2-fluorophenyl)methyl]-5-(1,3-oxazol-4-yl)-1,2,4-triazol-3-yl]pyridin-4-amine.

Molecular Properties

Compound Name2-[1-[(2-fluorophenyl)methyl]-5-(1,3-oxazol-4-yl)-1,2,4-triazol-3-yl]pyridin-4-amine
PubChem CID69093787
Molecular FormulaC17H13FN6O
Molecular Weight336.33 g/mol
Exact Mass336.11
IUPAC Name2-[1-[(2-fluorophenyl)methyl]-5-(1,3-oxazol-4-yl)-1,2,4-triazol-3-yl]pyridin-4-amine
SMILESNc1ccnc(-c2nc(-c3cocn3)n(Cc3ccccc3F)n2)c1
InChIInChI=1S/C17H13FN6O/c18-13-4-2-1-3-11(13)8-24-17(15-9-25-10-21-15)22-16(23-24)14-7-12(19)5-6-20-14/h1-7,9-10H,8H2,(H2,19,20)
InChIKeyLWYDSLPIFHGUGN-UHFFFAOYSA-N
XLogP2.76
TPSA95.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.33
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-fluorophenyl)methyl]-5-(1,3-oxazol-4-yl)-1,2,4-triazol-3-yl]pyridin-4-amine?
The IUPAC name of 2-[1-[(2-fluorophenyl)methyl]-5-(1,3-oxazol-4-yl)-1,2,4-triazol-3-yl]pyridin-4-amine (CID 69093787) is 2-[1-[(2-fluorophenyl)methyl]-5-(1,3-oxazol-4-yl)-1,2,4-triazol-3-yl]pyridin-4-amine.
What is the SMILES notation for 2-[1-[(2-fluorophenyl)methyl]-5-(1,3-oxazol-4-yl)-1,2,4-triazol-3-yl]pyridin-4-amine?
The canonical SMILES for 2-[1-[(2-fluorophenyl)methyl]-5-(1,3-oxazol-4-yl)-1,2,4-triazol-3-yl]pyridin-4-amine is Nc1ccnc(-c2nc(-c3cocn3)n(Cc3ccccc3F)n2)c1.
What is the InChIKey of 2-[1-[(2-fluorophenyl)methyl]-5-(1,3-oxazol-4-yl)-1,2,4-triazol-3-yl]pyridin-4-amine?
The InChIKey is LWYDSLPIFHGUGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN6O/c18-13-4-2-1-3-11(13)8-24-17(15-9-25-10-21-15)22-16(23-24)14-7-12(19)5-6-20-14/h1-7,9-10H,8H2,(H2,19,20).
What are the key properties of 2-[1-[(2-fluorophenyl)methyl]-5-(1,3-oxazol-4-yl)-1,2,4-triazol-3-yl]pyridin-4-amine?
2-[1-[(2-fluorophenyl)methyl]-5-(1,3-oxazol-4-yl)-1,2,4-triazol-3-yl]pyridin-4-amine has a molecular weight of 336.33 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-fluorophenyl)methyl]-5-(1,3-oxazol-4-yl)-1,2,4-triazol-3-yl]pyridin-4-amine is sourced from PubChem (CID 69093787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).