[4-(2,4,6-trimethylphenyl)-1,3-oxazol-2-yl]methanamine

C13H16N2O — CID 82284932

IUPAC[4-(2,4,6-trimethylphenyl)-1,3-oxazol-2-yl]methanamine
SMILESCc1cc(C)c(-c2coc(CN)n2)c(C)c1
InChIInChI=1S/C13H16N2O/c1-8-4-9(2)13(10(3)5-8)11-7-16-12(6-14)15-11/h4-5,7H,6,14H2,1-3H3
InChIKeyDHPVYFDHBJCGGC-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.73
Rot. Bonds2

About [4-(2,4,6-trimethylphenyl)-1,3-oxazol-2-yl]methanamine

[4-(2,4,6-trimethylphenyl)-1,3-oxazol-2-yl]methanamine (PubChem CID 82284932) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is [4-(2,4,6-trimethylphenyl)-1,3-oxazol-2-yl]methanamine.

Molecular Properties

Compound Name[4-(2,4,6-trimethylphenyl)-1,3-oxazol-2-yl]methanamine
PubChem CID82284932
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name[4-(2,4,6-trimethylphenyl)-1,3-oxazol-2-yl]methanamine
SMILESCc1cc(C)c(-c2coc(CN)n2)c(C)c1
InChIInChI=1S/C13H16N2O/c1-8-4-9(2)13(10(3)5-8)11-7-16-12(6-14)15-11/h4-5,7H,6,14H2,1-3H3
InChIKeyDHPVYFDHBJCGGC-UHFFFAOYSA-N
XLogP2.73
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4,6-dimethyl-1,3-benzoxazol-2-yl)methanamine
CID 82229697
(5,7-dimethyl-1,3-benzoxazol-2-yl)methanamine
CID 79001891
[4-(4-bromophenyl)-1,3-oxazol-2-yl]methanamine
CID 82298406
[4-(3-fluorophenyl)-1,3-oxazol-2-yl]methanamine
CID 105445734
[4-(2,4,6-trimethylphenyl)-1,3-oxazol-5-yl]methanamine
CID 82127074
2-[4-methyl-6-(2,4,6-trimethylphenyl)pyrimidin-2-yl]ethanamine
CID 82299318
2-[4-(3-methylphenyl)-1,3-oxazol-2-yl]ethanamine
CID 105454374
4-(2-methoxy-4,6-dimethylphenyl)-N-methyl-1,3-oxazol-2-amine
CID 116832537
[4-[4-(2-methylpropoxy)phenyl]-1,3-oxazol-2-yl]methanamine
CID 95457468
6-ethyl-2-(2,4,6-trimethylphenyl)pyrimidin-4-amine
CID 62202121
(4-prop-1-enyl-1,3-oxazol-2-yl)methanamine
CID 141104267
[4-(2-fluoropropan-2-yl)-1,3-oxazol-2-yl]methanamine
CID 84763995

Frequently Asked Questions

What is the IUPAC name of [4-(2,4,6-trimethylphenyl)-1,3-oxazol-2-yl]methanamine?
The IUPAC name of [4-(2,4,6-trimethylphenyl)-1,3-oxazol-2-yl]methanamine (CID 82284932) is [4-(2,4,6-trimethylphenyl)-1,3-oxazol-2-yl]methanamine.
What is the SMILES notation for [4-(2,4,6-trimethylphenyl)-1,3-oxazol-2-yl]methanamine?
The canonical SMILES for [4-(2,4,6-trimethylphenyl)-1,3-oxazol-2-yl]methanamine is Cc1cc(C)c(-c2coc(CN)n2)c(C)c1.
What is the InChIKey of [4-(2,4,6-trimethylphenyl)-1,3-oxazol-2-yl]methanamine?
The InChIKey is DHPVYFDHBJCGGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-8-4-9(2)13(10(3)5-8)11-7-16-12(6-14)15-11/h4-5,7H,6,14H2,1-3H3.
What are the key properties of [4-(2,4,6-trimethylphenyl)-1,3-oxazol-2-yl]methanamine?
[4-(2,4,6-trimethylphenyl)-1,3-oxazol-2-yl]methanamine has a molecular weight of 216.28 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,4,6-trimethylphenyl)-1,3-oxazol-2-yl]methanamine is sourced from PubChem (CID 82284932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).