[3-(4-fluoro-2-methyl-5-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methanamine

C13H16FN3O — CID 117375968

IUPAC[3-(4-fluoro-2-methyl-5-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
SMILESCc1cc(F)c(C(C)C)cc1-c1noc(CN)n1
InChIInChI=1S/C13H16FN3O/c1-7(2)9-5-10(8(3)4-11(9)14)13-16-12(6-15)18-17-13/h4-5,7H,6,15H2,1-3H3
InChIKeyYTJXXISSCMFZTH-UHFFFAOYSA-N
MW249.29 g/mol
LogP2.77
Rot. Bonds3

About [3-(4-fluoro-2-methyl-5-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methanamine

[3-(4-fluoro-2-methyl-5-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methanamine (PubChem CID 117375968) has the molecular formula C13H16FN3O and a molecular weight of 249.29 g/mol. Its IUPAC name is [3-(4-fluoro-2-methyl-5-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methanamine.

Molecular Properties

Compound Name[3-(4-fluoro-2-methyl-5-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
PubChem CID117375968
Molecular FormulaC13H16FN3O
Molecular Weight249.29 g/mol
Exact Mass249.13
IUPAC Name[3-(4-fluoro-2-methyl-5-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
SMILESCc1cc(F)c(C(C)C)cc1-c1noc(CN)n1
InChIInChI=1S/C13H16FN3O/c1-7(2)9-5-10(8(3)4-11(9)14)13-16-12(6-15)18-17-13/h4-5,7H,6,15H2,1-3H3
InChIKeyYTJXXISSCMFZTH-UHFFFAOYSA-N
XLogP2.77
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [3-(4-fluoro-2-methyl-5-propan-2-ylphenyl)-1,2,4-oxadiazol-5-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

[3-(4,5-dimethoxy-2-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117444259
[3-(2,5-difluoro-3,6-dimethylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117350136
5-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-4-fluoro-2-methylbenzoic acid
CID 117380462
[3-(2,3,4,5-tetramethylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117334554
[3-(2-fluoro-5-methoxy-3-methylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117346147
[3-(5-chloro-2-methoxy-3-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117452342
[3-(2,5-difluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117354397
[3-(2-chloro-3-fluoro-6-methylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117356000
4-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-3-fluoro-2-methoxy-6-methylphenol
CID 136942270
[3-(4,5-difluoro-2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117430541
[3-(3,4-difluoro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117354407
[3-(3,4,5-trimethylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117309504

Frequently Asked Questions

What is the IUPAC name of [3-(4-fluoro-2-methyl-5-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methanamine?
The IUPAC name of [3-(4-fluoro-2-methyl-5-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methanamine (CID 117375968) is [3-(4-fluoro-2-methyl-5-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methanamine.
What is the SMILES notation for [3-(4-fluoro-2-methyl-5-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methanamine?
The canonical SMILES for [3-(4-fluoro-2-methyl-5-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methanamine is Cc1cc(F)c(C(C)C)cc1-c1noc(CN)n1.
What is the InChIKey of [3-(4-fluoro-2-methyl-5-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methanamine?
The InChIKey is YTJXXISSCMFZTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O/c1-7(2)9-5-10(8(3)4-11(9)14)13-16-12(6-15)18-17-13/h4-5,7H,6,15H2,1-3H3.
What are the key properties of [3-(4-fluoro-2-methyl-5-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methanamine?
[3-(4-fluoro-2-methyl-5-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methanamine has a molecular weight of 249.29 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-fluoro-2-methyl-5-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methanamine is sourced from PubChem (CID 117375968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).