[4-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]methanamine

C11H11FN2O — CID 115024489

IUPAC[4-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]methanamine
SMILESNCc1nc(Cc2ccc(F)cc2)co1
InChIInChI=1S/C11H11FN2O/c12-9-3-1-8(2-4-9)5-10-7-15-11(6-13)14-10/h1-4,7H,5-6,13H2
InChIKeyAXNFMXBNZYDILF-UHFFFAOYSA-N
MW206.22 g/mol
LogP1.86
Rot. Bonds3

About [4-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]methanamine

[4-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]methanamine (PubChem CID 115024489) has the molecular formula C11H11FN2O and a molecular weight of 206.22 g/mol. Its IUPAC name is [4-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]methanamine.

Molecular Properties

Compound Name[4-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]methanamine
PubChem CID115024489
Molecular FormulaC11H11FN2O
Molecular Weight206.22 g/mol
Exact Mass206.09
IUPAC Name[4-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]methanamine
SMILESNCc1nc(Cc2ccc(F)cc2)co1
InChIInChI=1S/C11H11FN2O/c12-9-3-1-8(2-4-9)5-10-7-15-11(6-13)14-10/h1-4,7H,5-6,13H2
InChIKeyAXNFMXBNZYDILF-UHFFFAOYSA-N
XLogP1.86
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.22
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]methanamine 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-fluorophenyl)methyl]-2-methyl-1,3-oxazole
CID 90392955
2-[2-[(4-chlorophenyl)methyl]-1,3-oxazol-4-yl]ethanamine
CID 115084128
3-[2-[(4-bromophenyl)methyl]-1,3-oxazol-4-yl]propan-1-amine
CID 115084153
3-[2-[(4-methylphenyl)methyl]-1,3-oxazol-4-yl]propan-1-amine
CID 115084149
1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazol-4-yl]propan-2-amine
CID 115084121
[4-(3-fluorophenyl)-1,3-oxazol-2-yl]methanamine
CID 105445734
ethane;(4-fluorophenyl)methanamine
CID 142071105
4-[(4-fluorophenyl)methyl]-1-methylimidazol-2-amine
CID 53403357
[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]methanamine
CID 82054476
5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazole-2-carboxamide
CID 22431523
1-[4-[(4-methylphenyl)methyl]-1,3-oxazol-2-yl]ethanamine
CID 115029662
2-[2-[(4-bromophenyl)methyl]-1,3-oxazol-4-yl]ethanol
CID 115084055

Frequently Asked Questions

What is the IUPAC name of [4-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]methanamine?
The IUPAC name of [4-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]methanamine (CID 115024489) is [4-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]methanamine.
What is the SMILES notation for [4-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]methanamine?
The canonical SMILES for [4-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]methanamine is NCc1nc(Cc2ccc(F)cc2)co1.
What is the InChIKey of [4-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]methanamine?
The InChIKey is AXNFMXBNZYDILF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O/c12-9-3-1-8(2-4-9)5-10-7-15-11(6-13)14-10/h1-4,7H,5-6,13H2.
What are the key properties of [4-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]methanamine?
[4-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]methanamine has a molecular weight of 206.22 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]methanamine is sourced from PubChem (CID 115024489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).