4,5-bis(4-fluorophenyl)-2-[(4-pyridin-3-yltriazol-1-yl)methyl]-1,3-oxazole

C23H15F2N5O — CID 134141433

IUPAC4,5-bis(4-fluorophenyl)-2-[(4-pyridin-3-yltriazol-1-yl)methyl]-1,3-oxazole
SMILESFc1ccc(-c2nc(Cn3cc(-c4cccnc4)nn3)oc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C23H15F2N5O/c24-18-7-3-15(4-8-18)22-23(16-5-9-19(25)10-6-16)31-21(27-22)14-30-13-20(28-29-30)17-2-1-11-26-12-17/h1-13H,14H2
InChIKeyMPHKOWNIGWSMCX-UHFFFAOYSA-N
MW415.40 g/mol
LogP4.99
Rot. Bonds5

About 4,5-bis(4-fluorophenyl)-2-[(4-pyridin-3-yltriazol-1-yl)methyl]-1,3-oxazole

4,5-bis(4-fluorophenyl)-2-[(4-pyridin-3-yltriazol-1-yl)methyl]-1,3-oxazole (PubChem CID 134141433) has the molecular formula C23H15F2N5O and a molecular weight of 415.40 g/mol. Its IUPAC name is 4,5-bis(4-fluorophenyl)-2-[(4-pyridin-3-yltriazol-1-yl)methyl]-1,3-oxazole.

Molecular Properties

Compound Name4,5-bis(4-fluorophenyl)-2-[(4-pyridin-3-yltriazol-1-yl)methyl]-1,3-oxazole
PubChem CID134141433
Molecular FormulaC23H15F2N5O
Molecular Weight415.40 g/mol
Exact Mass415.12
IUPAC Name4,5-bis(4-fluorophenyl)-2-[(4-pyridin-3-yltriazol-1-yl)methyl]-1,3-oxazole
SMILESFc1ccc(-c2nc(Cn3cc(-c4cccnc4)nn3)oc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C23H15F2N5O/c24-18-7-3-15(4-8-18)22-23(16-5-9-19(25)10-6-16)31-21(27-22)14-30-13-20(28-29-30)17-2-1-11-26-12-17/h1-13H,14H2
InChIKeyMPHKOWNIGWSMCX-UHFFFAOYSA-N
XLogP4.99
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.40
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4,5-bis(4-fluorophenyl)-2-[(4-pyridin-3-yltriazol-1-yl)methyl]-1,3-oxazole with MolForge

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

Launch Full Analysis

Related Compounds

4,5-bis(4-chlorophenyl)-2-[[4-(6-methoxynaphthalen-2-yl)triazol-1-yl]methyl]-1,3-oxazole
CID 134148408
3-[1-(methylsulfanylmethyl)triazol-4-yl]pyridine
CID 132850274
(2R)-1-(4-pyridin-3-yltriazol-1-yl)-3-(2,4,5-trifluorophenyl)propan-2-amine
CID 142737235
4-(4-pyridin-3-yltriazol-1-yl)-1-(2,4,5-trifluorophenyl)butan-2-amine
CID 142737236
4,7-bis(4-fluorophenyl)-6-pyridin-3-yl-[1,2,5]oxadiazolo[3,4-c]pyridine
CID 132537703
ethane;3-(1-methyltriazol-4-yl)pyridine
CID 159786313
4-[2-[(4-fluorophenoxy)methyl]-4-phenyl-1,3-oxazol-5-yl]benzenesulfonamide
CID 18701723
4-fluoro-N-[(2S,3S,6R)-2-(hydroxymethyl)-6-[2-(4-pyridin-3-yltriazol-1-yl)ethyl]oxan-3-yl]benzenesulfonamide
CID 54644015
4,4,6,6-tetramethyl-8-(4-pyridin-3-yltriazol-1-yl)octan-1-ol
CID 123339748
4-(4-fluorophenyl)-2-pyridin-3-yl-1,3-thiazole
CID 592589
5-[4-[(4-phenyltriazol-1-yl)methyl]phenyl]pyrimidine
CID 147598461
3-[2-[(4-fluorophenyl)methyl]tetrazol-5-yl]pyridine
CID 16763011

Frequently Asked Questions

What is the IUPAC name of 4,5-bis(4-fluorophenyl)-2-[(4-pyridin-3-yltriazol-1-yl)methyl]-1,3-oxazole?
The IUPAC name of 4,5-bis(4-fluorophenyl)-2-[(4-pyridin-3-yltriazol-1-yl)methyl]-1,3-oxazole (CID 134141433) is 4,5-bis(4-fluorophenyl)-2-[(4-pyridin-3-yltriazol-1-yl)methyl]-1,3-oxazole.
What is the SMILES notation for 4,5-bis(4-fluorophenyl)-2-[(4-pyridin-3-yltriazol-1-yl)methyl]-1,3-oxazole?
The canonical SMILES for 4,5-bis(4-fluorophenyl)-2-[(4-pyridin-3-yltriazol-1-yl)methyl]-1,3-oxazole is Fc1ccc(-c2nc(Cn3cc(-c4cccnc4)nn3)oc2-c2ccc(F)cc2)cc1.
What is the InChIKey of 4,5-bis(4-fluorophenyl)-2-[(4-pyridin-3-yltriazol-1-yl)methyl]-1,3-oxazole?
The InChIKey is MPHKOWNIGWSMCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15F2N5O/c24-18-7-3-15(4-8-18)22-23(16-5-9-19(25)10-6-16)31-21(27-22)14-30-13-20(28-29-30)17-2-1-11-26-12-17/h1-13H,14H2.
What are the key properties of 4,5-bis(4-fluorophenyl)-2-[(4-pyridin-3-yltriazol-1-yl)methyl]-1,3-oxazole?
4,5-bis(4-fluorophenyl)-2-[(4-pyridin-3-yltriazol-1-yl)methyl]-1,3-oxazole has a molecular weight of 415.40 g/mol, XLogP of 4.99, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(4-fluorophenyl)-2-[(4-pyridin-3-yltriazol-1-yl)methyl]-1,3-oxazole is sourced from PubChem (CID 134141433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).