1,2-oxazol-3-yl-[[3-(3,4,5-trifluorophenyl)-1,2-oxazol-5-yl]methyl]carbamic acid

C14H8F3N3O4 — CID 23019415

IUPAC1,2-oxazol-3-yl-[[3-(3,4,5-trifluorophenyl)-1,2-oxazol-5-yl]methyl]carbamic acid
SMILESO=C(O)N(Cc1cc(-c2cc(F)c(F)c(F)c2)no1)c1ccon1
InChIInChI=1S/C14H8F3N3O4/c15-9-3-7(4-10(16)13(9)17)11-5-8(24-18-11)6-20(14(21)22)12-1-2-23-19-12/h1-5H,6H2,(H,21,22)
InChIKeyAXZDHWQOJVDZAV-UHFFFAOYSA-N
MW339.23 g/mol
LogP3.43
Rot. Bonds4

About 1,2-oxazol-3-yl-[[3-(3,4,5-trifluorophenyl)-1,2-oxazol-5-yl]methyl]carbamic acid

1,2-oxazol-3-yl-[[3-(3,4,5-trifluorophenyl)-1,2-oxazol-5-yl]methyl]carbamic acid (PubChem CID 23019415) has the molecular formula C14H8F3N3O4 and a molecular weight of 339.23 g/mol. Its IUPAC name is 1,2-oxazol-3-yl-[[3-(3,4,5-trifluorophenyl)-1,2-oxazol-5-yl]methyl]carbamic acid.

Molecular Properties

Compound Name1,2-oxazol-3-yl-[[3-(3,4,5-trifluorophenyl)-1,2-oxazol-5-yl]methyl]carbamic acid
PubChem CID23019415
Molecular FormulaC14H8F3N3O4
Molecular Weight339.23 g/mol
Exact Mass339.05
IUPAC Name1,2-oxazol-3-yl-[[3-(3,4,5-trifluorophenyl)-1,2-oxazol-5-yl]methyl]carbamic acid
SMILESO=C(O)N(Cc1cc(-c2cc(F)c(F)c(F)c2)no1)c1ccon1
InChIInChI=1S/C14H8F3N3O4/c15-9-3-7(4-10(16)13(9)17)11-5-8(24-18-11)6-20(14(21)22)12-1-2-23-19-12/h1-5H,6H2,(H,21,22)
InChIKeyAXZDHWQOJVDZAV-UHFFFAOYSA-N
XLogP3.43
TPSA92.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.23
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1,2-oxazol-3-yl-[[3-(3,4,5-trifluorophenyl)-1,2-oxazol-5-yl]methyl]carbamic acid 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-(4-fluorobenzoyl)-5-(4-fluorophenyl)-3-hydroxy-1-(5-methylisoxazol-3-yl)-1H-pyrrol-2(5H)-one
CID 5389346
3-(4-fluorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-5-carboxamide
CID 17096037
3-(2-fluorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-5-carboxamide
CID 17096074
(3S)-1-[[3-(3,4-difluorophenyl)-1,2-oxazol-5-yl]methyl]pyrrolidin-3-ol
CID 172168164
5-(4-Fluorophenyl)-4-[(4-fluorophenyl)-hydroxymethylidene]-1-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2,3-dione
CID 661688
5-(4-Fluorophenyl)-4-[hydroxy(phenyl)methylidene]-1-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2,3-dione
CID 3520735
(4Z,5S)-5-(4-fluorophenyl)-4-[(4-fluorophenyl)-hydroxymethylidene]-1-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2,3-dione
CID 24867395
1-[4-[2-Fluoro-4-[5-[(1,2-oxazol-3-ylamino)methyl]-1,2-oxazol-3-yl]phenyl]piperazin-1-yl]-2-hydroxyethanone
CID 10272371
[3-(3,4-Difluorophenyl)-1,2-oxazol-5-yl]methyl-(1,2-oxazol-3-yl)carbamic acid
CID 23019397
N-[[3-(3,4-difluorophenyl)-1,2-oxazol-5-yl]methyl]-1,2-oxazol-3-amine
CID 23019402
3-(3-Fluoro-4-piperazin-1-ylphenyl)-5-(isoxazol-3-ylaminomethyl)isoxazole
CID 23019417
[3-(3,5-Difluoro-4-piperazin-1-ylphenyl)isoxazol-5-ylmethyl]isoxazol-3-ylamine
CID 23019418

Frequently Asked Questions

What is the IUPAC name of 1,2-oxazol-3-yl-[[3-(3,4,5-trifluorophenyl)-1,2-oxazol-5-yl]methyl]carbamic acid?
The IUPAC name of 1,2-oxazol-3-yl-[[3-(3,4,5-trifluorophenyl)-1,2-oxazol-5-yl]methyl]carbamic acid (CID 23019415) is 1,2-oxazol-3-yl-[[3-(3,4,5-trifluorophenyl)-1,2-oxazol-5-yl]methyl]carbamic acid.
What is the SMILES notation for 1,2-oxazol-3-yl-[[3-(3,4,5-trifluorophenyl)-1,2-oxazol-5-yl]methyl]carbamic acid?
The canonical SMILES for 1,2-oxazol-3-yl-[[3-(3,4,5-trifluorophenyl)-1,2-oxazol-5-yl]methyl]carbamic acid is O=C(O)N(Cc1cc(-c2cc(F)c(F)c(F)c2)no1)c1ccon1.
What is the InChIKey of 1,2-oxazol-3-yl-[[3-(3,4,5-trifluorophenyl)-1,2-oxazol-5-yl]methyl]carbamic acid?
The InChIKey is AXZDHWQOJVDZAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F3N3O4/c15-9-3-7(4-10(16)13(9)17)11-5-8(24-18-11)6-20(14(21)22)12-1-2-23-19-12/h1-5H,6H2,(H,21,22).
What are the key properties of 1,2-oxazol-3-yl-[[3-(3,4,5-trifluorophenyl)-1,2-oxazol-5-yl]methyl]carbamic acid?
1,2-oxazol-3-yl-[[3-(3,4,5-trifluorophenyl)-1,2-oxazol-5-yl]methyl]carbamic acid has a molecular weight of 339.23 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-oxazol-3-yl-[[3-(3,4,5-trifluorophenyl)-1,2-oxazol-5-yl]methyl]carbamic acid is sourced from PubChem (CID 23019415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).