N-phenyl-5-[2-(3,4,5-trifluoroanilino)-3-pyridinyl]-1,3,4-oxadiazol-2-amine

C19H12F3N5O — CID 90667487

IUPACN-phenyl-5-[2-(3,4,5-trifluoroanilino)-3-pyridinyl]-1,3,4-oxadiazol-2-amine
SMILESFc1cc(Nc2ncccc2-c2nnc(Nc3ccccc3)o2)cc(F)c1F
InChIInChI=1S/C19H12F3N5O/c20-14-9-12(10-15(21)16(14)22)24-17-13(7-4-8-23-17)18-26-27-19(28-18)25-11-5-2-1-3-6-11/h1-10H,(H,23,24)(H,25,27)
InChIKeyBVUOIPZQMIPGBU-UHFFFAOYSA-N
MW383.33 g/mol
LogP5.04
Rot. Bonds5

About N-phenyl-5-[2-(3,4,5-trifluoroanilino)-3-pyridinyl]-1,3,4-oxadiazol-2-amine

N-phenyl-5-[2-(3,4,5-trifluoroanilino)-3-pyridinyl]-1,3,4-oxadiazol-2-amine (PubChem CID 90667487) has the molecular formula C19H12F3N5O and a molecular weight of 383.33 g/mol. Its IUPAC name is N-phenyl-5-[2-(3,4,5-trifluoroanilino)-3-pyridinyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-phenyl-5-[2-(3,4,5-trifluoroanilino)-3-pyridinyl]-1,3,4-oxadiazol-2-amine
PubChem CID90667487
Molecular FormulaC19H12F3N5O
Molecular Weight383.33 g/mol
Exact Mass383.10
IUPAC NameN-phenyl-5-[2-(3,4,5-trifluoroanilino)-3-pyridinyl]-1,3,4-oxadiazol-2-amine
SMILESFc1cc(Nc2ncccc2-c2nnc(Nc3ccccc3)o2)cc(F)c1F
InChIInChI=1S/C19H12F3N5O/c20-14-9-12(10-15(21)16(14)22)24-17-13(7-4-8-23-17)18-26-27-19(28-18)25-11-5-2-1-3-6-11/h1-10H,(H,23,24)(H,25,27)
InChIKeyBVUOIPZQMIPGBU-UHFFFAOYSA-N
XLogP5.04
TPSA75.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.33
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-[4-(propan-2-yl)phenyl]-5-{2-[2-(pyridin-4-yl)ethyl]pyridin-3-yl}-1,3,4-oxadiazol-2-amine
CID 15949471
5-{2-[2-(pyridin-4-yl)ethyl]pyridin-3-yl}-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine
CID 23644858
5-{4-[2-(pyridin-4-yl)ethyl]pyridin-3-yl}-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine
CID 23644860
N-(4-tert-butylphenyl)-5-{2-[2-(pyridin-4-yl)ethyl]pyridin-3-yl}-1,3,4-oxadiazol-2-amine
CID 23644872
N-(4-tert-butylphenyl)-5-{4-[2-(pyridin-4-yl)ethyl]pyridin-3-yl}-1,3,4-oxadiazol-2-amine
CID 23644875
5-{2-[2-(pyridin-4-yl)ethyl]pyridin-3-yl}-N-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine
CID 23644879
5-{4-[2-(pyridin-4-yl)ethyl]pyridin-3-yl}-N-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine
CID 23644885
N-(3-methylphenyl)-5-{2-[2-(pyridin-4-yl)ethyl]pyridin-3-yl}-1,3,4-oxadiazol-2-amine
CID 23644889
N-[4-methyl-3-(trifluoromethyl)phenyl]-5-{2-[2-(pyridin-4-yl)ethyl]pyridin-3-yl}-1,3,4-oxadiazol-2-amine
CID 23644895
1,3,4-Oxadiazol-2-amine, N-phenyl-5-(3-pyridinyl)-
CID 3041662
1,3,4-Oxadiazol-2-amine, N-phenyl-5-(4-pyridinyl)-
CID 121137
N-(4-phenylphenyl)-5-{2-[2-(pyridin-4-yl)ethyl]pyridin-3-yl}-1,3,4-oxadiazol-2-amine
CID 23644897

Frequently Asked Questions

What is the IUPAC name of N-phenyl-5-[2-(3,4,5-trifluoroanilino)-3-pyridinyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-phenyl-5-[2-(3,4,5-trifluoroanilino)-3-pyridinyl]-1,3,4-oxadiazol-2-amine (CID 90667487) is N-phenyl-5-[2-(3,4,5-trifluoroanilino)-3-pyridinyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-phenyl-5-[2-(3,4,5-trifluoroanilino)-3-pyridinyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-phenyl-5-[2-(3,4,5-trifluoroanilino)-3-pyridinyl]-1,3,4-oxadiazol-2-amine is Fc1cc(Nc2ncccc2-c2nnc(Nc3ccccc3)o2)cc(F)c1F.
What is the InChIKey of N-phenyl-5-[2-(3,4,5-trifluoroanilino)-3-pyridinyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is BVUOIPZQMIPGBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F3N5O/c20-14-9-12(10-15(21)16(14)22)24-17-13(7-4-8-23-17)18-26-27-19(28-18)25-11-5-2-1-3-6-11/h1-10H,(H,23,24)(H,25,27).
What are the key properties of N-phenyl-5-[2-(3,4,5-trifluoroanilino)-3-pyridinyl]-1,3,4-oxadiazol-2-amine?
N-phenyl-5-[2-(3,4,5-trifluoroanilino)-3-pyridinyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 383.33 g/mol, XLogP of 5.04, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-5-[2-(3,4,5-trifluoroanilino)-3-pyridinyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 90667487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).