N-[(2-amino-6-fluorophenyl)methyl]-5-(2-aminophenyl)-1,3,4-oxadiazole-2-carboxamide

C16H14FN5O2 — CID 45270500

IUPACN-[(2-amino-6-fluorophenyl)methyl]-5-(2-aminophenyl)-1,3,4-oxadiazole-2-carboxamide
SMILESNc1ccccc1-c1nnc(C(=O)NCc2c(N)cccc2F)o1
InChIInChI=1S/C16H14FN5O2/c17-11-5-3-7-13(19)10(11)8-20-14(23)16-22-21-15(24-16)9-4-1-2-6-12(9)18/h1-7H,8,18-19H2,(H,20,23)
InChIKeyRPZINHDOUHGKIS-UHFFFAOYSA-N
MW327.32 g/mol
LogP1.97
Rot. Bonds4

About N-[(2-amino-6-fluorophenyl)methyl]-5-(2-aminophenyl)-1,3,4-oxadiazole-2-carboxamide

N-[(2-amino-6-fluorophenyl)methyl]-5-(2-aminophenyl)-1,3,4-oxadiazole-2-carboxamide (PubChem CID 45270500) has the molecular formula C16H14FN5O2 and a molecular weight of 327.32 g/mol. Its IUPAC name is N-[(2-amino-6-fluorophenyl)methyl]-5-(2-aminophenyl)-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound NameN-[(2-amino-6-fluorophenyl)methyl]-5-(2-aminophenyl)-1,3,4-oxadiazole-2-carboxamide
PubChem CID45270500
Molecular FormulaC16H14FN5O2
Molecular Weight327.32 g/mol
Exact Mass327.11
IUPAC NameN-[(2-amino-6-fluorophenyl)methyl]-5-(2-aminophenyl)-1,3,4-oxadiazole-2-carboxamide
SMILESNc1ccccc1-c1nnc(C(=O)NCc2c(N)cccc2F)o1
InChIInChI=1S/C16H14FN5O2/c17-11-5-3-7-13(19)10(11)8-20-14(23)16-22-21-15(24-16)9-4-1-2-6-12(9)18/h1-7H,8,18-19H2,(H,20,23)
InChIKeyRPZINHDOUHGKIS-UHFFFAOYSA-N
XLogP1.97
TPSA120.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.32
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2-amino-6-fluorophenyl)methyl]-5-(2-aminophenyl)-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of N-[(2-amino-6-fluorophenyl)methyl]-5-(2-aminophenyl)-1,3,4-oxadiazole-2-carboxamide (CID 45270500) is N-[(2-amino-6-fluorophenyl)methyl]-5-(2-aminophenyl)-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for N-[(2-amino-6-fluorophenyl)methyl]-5-(2-aminophenyl)-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for N-[(2-amino-6-fluorophenyl)methyl]-5-(2-aminophenyl)-1,3,4-oxadiazole-2-carboxamide is Nc1ccccc1-c1nnc(C(=O)NCc2c(N)cccc2F)o1.
What is the InChIKey of N-[(2-amino-6-fluorophenyl)methyl]-5-(2-aminophenyl)-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is RPZINHDOUHGKIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN5O2/c17-11-5-3-7-13(19)10(11)8-20-14(23)16-22-21-15(24-16)9-4-1-2-6-12(9)18/h1-7H,8,18-19H2,(H,20,23).
What are the key properties of N-[(2-amino-6-fluorophenyl)methyl]-5-(2-aminophenyl)-1,3,4-oxadiazole-2-carboxamide?
N-[(2-amino-6-fluorophenyl)methyl]-5-(2-aminophenyl)-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 327.32 g/mol, XLogP of 1.97, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-amino-6-fluorophenyl)methyl]-5-(2-aminophenyl)-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 45270500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).