N-[[5-(2,3,4-trifluorophenyl)-1,3-oxazol-2-yl]methyl]cyclopropanamine

C13H11F3N2O — CID 79755784

IUPACN-[[5-(2,3,4-trifluorophenyl)-1,3-oxazol-2-yl]methyl]cyclopropanamine
SMILESFc1ccc(-c2cnc(CNC3CC3)o2)c(F)c1F
InChIInChI=1S/C13H11F3N2O/c14-9-4-3-8(12(15)13(9)16)10-5-18-11(19-10)6-17-7-1-2-7/h3-5,7,17H,1-2,6H2
InChIKeyDGNABAFKIHJPGT-UHFFFAOYSA-N
MW268.24 g/mol
LogP3.01
Rot. Bonds4

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

N-[[5-(2,3,4-trifluorophenyl)-1,3-oxazol-2-yl]methyl]cyclopropanamine (PubChem CID 79755784) has the molecular formula C13H11F3N2O and a molecular weight of 268.24 g/mol. Its IUPAC name is N-[[5-(2,3,4-trifluorophenyl)-1,3-oxazol-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-(2,3,4-trifluorophenyl)-1,3-oxazol-2-yl]methyl]cyclopropanamine
PubChem CID79755784
Molecular FormulaC13H11F3N2O
Molecular Weight268.24 g/mol
Exact Mass268.08
IUPAC NameN-[[5-(2,3,4-trifluorophenyl)-1,3-oxazol-2-yl]methyl]cyclopropanamine
SMILESFc1ccc(-c2cnc(CNC3CC3)o2)c(F)c1F
InChIInChI=1S/C13H11F3N2O/c14-9-4-3-8(12(15)13(9)16)10-5-18-11(19-10)6-17-7-1-2-7/h3-5,7,17H,1-2,6H2
InChIKeyDGNABAFKIHJPGT-UHFFFAOYSA-N
XLogP3.01
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.24
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[[5-(2,3,4-trifluorophenyl)-1,3-oxazol-2-yl]methyl]cyclopropanamine 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

N-[[5-(2-chloro-4-fluorophenyl)-1,3-oxazol-2-yl]methyl]cyclopropanamine
CID 65183911
2-methyl-N-[[5-(2,3,4-trifluorophenyl)-1,3-oxazol-2-yl]methyl]propan-2-amine
CID 79755992
N-[[5-(3-chloro-4-fluorophenyl)-1,3-oxazol-2-yl]methyl]cyclopropanamine
CID 82880087
N-[[5-(1,5-dimethylpyrazol-4-yl)-1,3-oxazol-2-yl]methyl]cyclopropanamine
CID 65184308
N-[[5-(2-bromo-5-iodophenyl)-1,3-oxazol-2-yl]methyl]cyclopropanamine
CID 114026663
N-[[5-(2-ethoxyphenyl)-1,3-oxazol-2-yl]methyl]cyclopropanamine
CID 65183820
N-[(2,3,4-trifluorophenyl)methyl]cyclopropanamine
CID 63969871
N-[[5-(3,5-dimethylphenyl)-1,3-oxazol-2-yl]methyl]cyclopropanamine
CID 65184115
N-[[5-(2-bromo-5-methoxyphenyl)-1,3-oxazol-2-yl]methyl]cyclopropanamine
CID 65184310
N-[[5-(2-methoxy-4-nitrophenyl)-1,3-oxazol-2-yl]methyl]cyclopropanamine
CID 104785130
N-[[5-(2,3-dihydro-1H-inden-5-yl)-1,3-oxazol-2-yl]methyl]cyclopropanamine
CID 65184355
N-[[5-(2,3,4-trifluorophenyl)-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine
CID 79756560

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2,3,4-trifluorophenyl)-1,3-oxazol-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-(2,3,4-trifluorophenyl)-1,3-oxazol-2-yl]methyl]cyclopropanamine (CID 79755784) is N-[[5-(2,3,4-trifluorophenyl)-1,3-oxazol-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-(2,3,4-trifluorophenyl)-1,3-oxazol-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-(2,3,4-trifluorophenyl)-1,3-oxazol-2-yl]methyl]cyclopropanamine is Fc1ccc(-c2cnc(CNC3CC3)o2)c(F)c1F.
What is the InChIKey of N-[[5-(2,3,4-trifluorophenyl)-1,3-oxazol-2-yl]methyl]cyclopropanamine?
The InChIKey is DGNABAFKIHJPGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2O/c14-9-4-3-8(12(15)13(9)16)10-5-18-11(19-10)6-17-7-1-2-7/h3-5,7,17H,1-2,6H2.
What are the key properties of N-[[5-(2,3,4-trifluorophenyl)-1,3-oxazol-2-yl]methyl]cyclopropanamine?
N-[[5-(2,3,4-trifluorophenyl)-1,3-oxazol-2-yl]methyl]cyclopropanamine has a molecular weight of 268.24 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2,3,4-trifluorophenyl)-1,3-oxazol-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 79755784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).