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

C12H14N2O — CID 46344053

IUPAC[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methanamine
SMILESCc1ccc(-c2nc(CN)c(C)o2)cc1
InChIInChI=1S/C12H14N2O/c1-8-3-5-10(6-4-8)12-14-11(7-13)9(2)15-12/h3-6H,7,13H2,1-2H3
InChIKeyNTFPEQMQDBLFDO-UHFFFAOYSA-N
MW202.26 g/mol
LogP2.42
Rot. Bonds2

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

[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methanamine (PubChem CID 46344053) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is [5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methanamine.

Molecular Properties

Compound Name[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methanamine
PubChem CID46344053
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methanamine
SMILESCc1ccc(-c2nc(CN)c(C)o2)cc1
InChIInChI=1S/C12H14N2O/c1-8-3-5-10(6-4-8)12-14-11(7-13)9(2)15-12/h3-6H,7,13H2,1-2H3
InChIKeyNTFPEQMQDBLFDO-UHFFFAOYSA-N
XLogP2.42
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-methyl-2-phenyl-1,3-oxazol-4-yl)methanamine
CID 15616431
ethane;4-ethyl-5-methyl-2-(4-methylphenyl)-1,3-oxazole
CID 142936013
[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methanamine;hydrochloride
CID 45156819
ethane;[4-[2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]ethoxy]phenyl]methanamine
CID 91034363
[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl-triphenylphosphanium
CID 24742720
[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl-triphenylphosphanium chloride
CID 24742719
(5-methyl-2-pyridin-2-yl-1,3-oxazol-4-yl)methanamine
CID 82281196
N-[2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]ethyl]acetamide
CID 110415002
chloro-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-triphenyl-λ5-phosphane
CID 140519078
[2-(2-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methanamine
CID 170752586
[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methanamine;hydrochloride
CID 45156813
1-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]pentan-2-one
CID 157392468

Frequently Asked Questions

What is the IUPAC name of [5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methanamine?
The IUPAC name of [5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methanamine (CID 46344053) is [5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methanamine.
What is the SMILES notation for [5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methanamine?
The canonical SMILES for [5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methanamine is Cc1ccc(-c2nc(CN)c(C)o2)cc1.
What is the InChIKey of [5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methanamine?
The InChIKey is NTFPEQMQDBLFDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-8-3-5-10(6-4-8)12-14-11(7-13)9(2)15-12/h3-6H,7,13H2,1-2H3.
What are the key properties of [5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methanamine?
[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methanamine has a molecular weight of 202.26 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methanamine is sourced from PubChem (CID 46344053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).