[3-(4-fluoro-3-methylphenyl)-5-methyl-1,2-oxazol-4-yl]methanamine

C12H13FN2O — CID 82371436

IUPAC[3-(4-fluoro-3-methylphenyl)-5-methyl-1,2-oxazol-4-yl]methanamine
SMILESCc1cc(-c2noc(C)c2CN)ccc1F
InChIInChI=1S/C12H13FN2O/c1-7-5-9(3-4-11(7)13)12-10(6-14)8(2)16-15-12/h3-5H,6,14H2,1-2H3
InChIKeyYBNRROGVOVAHBD-UHFFFAOYSA-N
MW220.25 g/mol
LogP2.56
Rot. Bonds2

About [3-(4-fluoro-3-methylphenyl)-5-methyl-1,2-oxazol-4-yl]methanamine

[3-(4-fluoro-3-methylphenyl)-5-methyl-1,2-oxazol-4-yl]methanamine (PubChem CID 82371436) has the molecular formula C12H13FN2O and a molecular weight of 220.25 g/mol. Its IUPAC name is [3-(4-fluoro-3-methylphenyl)-5-methyl-1,2-oxazol-4-yl]methanamine.

Molecular Properties

Compound Name[3-(4-fluoro-3-methylphenyl)-5-methyl-1,2-oxazol-4-yl]methanamine
PubChem CID82371436
Molecular FormulaC12H13FN2O
Molecular Weight220.25 g/mol
Exact Mass220.10
IUPAC Name[3-(4-fluoro-3-methylphenyl)-5-methyl-1,2-oxazol-4-yl]methanamine
SMILESCc1cc(-c2noc(C)c2CN)ccc1F
InChIInChI=1S/C12H13FN2O/c1-7-5-9(3-4-11(7)13)12-10(6-14)8(2)16-15-12/h3-5H,6,14H2,1-2H3
InChIKeyYBNRROGVOVAHBD-UHFFFAOYSA-N
XLogP2.56
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [3-(4-fluoro-3-methylphenyl)-5-methyl-1,2-oxazol-4-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

[5-methyl-3-(4-methylphenyl)-1,2-oxazol-4-yl]methanamine;hydrochloride
CID 82019192
[3-(3-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]methanamine
CID 82127944
3-(4-fluoro-3-methylphenyl)-4-(2-methylpropyl)-1,2-oxazol-5-amine
CID 63214178
4-ethyl-3-(4-fluoro-3-methylphenyl)-1,2-oxazole-5-carboxylic acid
CID 82362385
[3-(4-ethylphenyl)-5-methyl-1,2-oxazol-4-yl]methanamine
CID 82127036
[5-methyl-3-(4-propan-2-ylphenyl)-1,2-oxazol-4-yl]methanamine
CID 82128528
[5-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-3-yl]methanamine
CID 63211461
N-[3-[4-(aminomethyl)-5-methyl-1,2-oxazol-3-yl]phenyl]acetamide
CID 82371371
3-(4-fluoro-3-methylphenyl)-4-pyridin-4-yl-1,2-oxazol-5-amine
CID 57417818
[4-(4-fluoro-3-methylphenyl)thiadiazol-5-yl]methanamine
CID 82391992
2-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine;hydrochloride
CID 119948247
4-(4-fluoro-3-methylphenyl)-5-methyl-1,2-oxazole-3-carboxylic acid
CID 82476085

Frequently Asked Questions

What is the IUPAC name of [3-(4-fluoro-3-methylphenyl)-5-methyl-1,2-oxazol-4-yl]methanamine?
The IUPAC name of [3-(4-fluoro-3-methylphenyl)-5-methyl-1,2-oxazol-4-yl]methanamine (CID 82371436) is [3-(4-fluoro-3-methylphenyl)-5-methyl-1,2-oxazol-4-yl]methanamine.
What is the SMILES notation for [3-(4-fluoro-3-methylphenyl)-5-methyl-1,2-oxazol-4-yl]methanamine?
The canonical SMILES for [3-(4-fluoro-3-methylphenyl)-5-methyl-1,2-oxazol-4-yl]methanamine is Cc1cc(-c2noc(C)c2CN)ccc1F.
What is the InChIKey of [3-(4-fluoro-3-methylphenyl)-5-methyl-1,2-oxazol-4-yl]methanamine?
The InChIKey is YBNRROGVOVAHBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O/c1-7-5-9(3-4-11(7)13)12-10(6-14)8(2)16-15-12/h3-5H,6,14H2,1-2H3.
What are the key properties of [3-(4-fluoro-3-methylphenyl)-5-methyl-1,2-oxazol-4-yl]methanamine?
[3-(4-fluoro-3-methylphenyl)-5-methyl-1,2-oxazol-4-yl]methanamine has a molecular weight of 220.25 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-fluoro-3-methylphenyl)-5-methyl-1,2-oxazol-4-yl]methanamine is sourced from PubChem (CID 82371436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).