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

C14H18N2O2 — CID 82086154

IUPAC[5-(2-methoxy-4,5-dimethylphenyl)-4-methyl-1,3-oxazol-2-yl]methanamine
SMILESCOc1cc(C)c(C)cc1-c1oc(CN)nc1C
InChIInChI=1S/C14H18N2O2/c1-8-5-11(12(17-4)6-9(8)2)14-10(3)16-13(7-15)18-14/h5-6H,7,15H2,1-4H3
InChIKeyPQQLYBRUJFTPSM-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.73
Rot. Bonds3

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

[5-(2-methoxy-4,5-dimethylphenyl)-4-methyl-1,3-oxazol-2-yl]methanamine (PubChem CID 82086154) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is [5-(2-methoxy-4,5-dimethylphenyl)-4-methyl-1,3-oxazol-2-yl]methanamine.

Molecular Properties

Compound Name[5-(2-methoxy-4,5-dimethylphenyl)-4-methyl-1,3-oxazol-2-yl]methanamine
PubChem CID82086154
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name[5-(2-methoxy-4,5-dimethylphenyl)-4-methyl-1,3-oxazol-2-yl]methanamine
SMILESCOc1cc(C)c(C)cc1-c1oc(CN)nc1C
InChIInChI=1S/C14H18N2O2/c1-8-5-11(12(17-4)6-9(8)2)14-10(3)16-13(7-15)18-14/h5-6H,7,15H2,1-4H3
InChIKeyPQQLYBRUJFTPSM-UHFFFAOYSA-N
XLogP2.73
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(2-methoxyphenyl)-4-methyl-1,3-oxazol-2-yl]methanamine
CID 82079249
[5-(2,5-dimethylphenyl)-4-methyl-1,3-oxazol-2-yl]methanamine
CID 82078799
[5-(2-methoxyphenyl)-4-methyl-1,3-oxazol-2-yl]methanol
CID 105473690
2-[2-(2-methoxy-4,5-dimethylphenyl)-1,3-oxazol-4-yl]ethanamine
CID 82479428
[5-(4-methoxy-2,5-dimethylphenyl)-3-methyl-1,2-oxazol-4-yl]methanamine
CID 82479432
[5-(2,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 55034671
[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]methanamine
CID 71683764
[3-(4-methoxy-2,3,6-trimethylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 115112733
[5-(2,4,5-trimethoxyphenyl)-1,3-oxazol-2-yl]methanamine
CID 65179670
2-(2-methoxy-4,5-dimethylphenyl)-6-methylpyrimidin-4-amine
CID 82293771
4-(2-methoxy-4,5-dimethylphenyl)-6-methyl-1,3,5-triazin-2-amine
CID 82478513
[3-(4-ethyl-2,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117412438

Frequently Asked Questions

What is the IUPAC name of [5-(2-methoxy-4,5-dimethylphenyl)-4-methyl-1,3-oxazol-2-yl]methanamine?
The IUPAC name of [5-(2-methoxy-4,5-dimethylphenyl)-4-methyl-1,3-oxazol-2-yl]methanamine (CID 82086154) is [5-(2-methoxy-4,5-dimethylphenyl)-4-methyl-1,3-oxazol-2-yl]methanamine.
What is the SMILES notation for [5-(2-methoxy-4,5-dimethylphenyl)-4-methyl-1,3-oxazol-2-yl]methanamine?
The canonical SMILES for [5-(2-methoxy-4,5-dimethylphenyl)-4-methyl-1,3-oxazol-2-yl]methanamine is COc1cc(C)c(C)cc1-c1oc(CN)nc1C.
What is the InChIKey of [5-(2-methoxy-4,5-dimethylphenyl)-4-methyl-1,3-oxazol-2-yl]methanamine?
The InChIKey is PQQLYBRUJFTPSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-8-5-11(12(17-4)6-9(8)2)14-10(3)16-13(7-15)18-14/h5-6H,7,15H2,1-4H3.
What are the key properties of [5-(2-methoxy-4,5-dimethylphenyl)-4-methyl-1,3-oxazol-2-yl]methanamine?
[5-(2-methoxy-4,5-dimethylphenyl)-4-methyl-1,3-oxazol-2-yl]methanamine has a molecular weight of 246.31 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-methoxy-4,5-dimethylphenyl)-4-methyl-1,3-oxazol-2-yl]methanamine is sourced from PubChem (CID 82086154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).