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

C12H14N2O2 — CID 82360064

IUPAC[5-(4-methoxy-2-methylphenyl)-1,3-oxazol-2-yl]methanamine
SMILESCOc1ccc(-c2cnc(CN)o2)c(C)c1
InChIInChI=1S/C12H14N2O2/c1-8-5-9(15-2)3-4-10(8)11-7-14-12(6-13)16-11/h3-5,7H,6,13H2,1-2H3
InChIKeyNNWHXUYVNNFYHZ-UHFFFAOYSA-N
MW218.26 g/mol
LogP2.12
Rot. Bonds3

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

[5-(4-methoxy-2-methylphenyl)-1,3-oxazol-2-yl]methanamine (PubChem CID 82360064) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is [5-(4-methoxy-2-methylphenyl)-1,3-oxazol-2-yl]methanamine.

Molecular Properties

Compound Name[5-(4-methoxy-2-methylphenyl)-1,3-oxazol-2-yl]methanamine
PubChem CID82360064
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name[5-(4-methoxy-2-methylphenyl)-1,3-oxazol-2-yl]methanamine
SMILESCOc1ccc(-c2cnc(CN)o2)c(C)c1
InChIInChI=1S/C12H14N2O2/c1-8-5-9(15-2)3-4-10(8)11-7-14-12(6-13)16-11/h3-5,7H,6,13H2,1-2H3
InChIKeyNNWHXUYVNNFYHZ-UHFFFAOYSA-N
XLogP2.12
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(2-bromo-5-methoxyphenyl)-1,3-oxazol-2-yl]methanamine
CID 65179787
[5-[4-(4-methoxyphenyl)phenyl]-1,3-oxazol-2-yl]methanamine
CID 82360062
2-[5-(2-fluoro-4-methoxyphenyl)-1,3-oxazol-2-yl]ethanamine
CID 102885541
3-[5-(2-fluoro-4-methoxyphenyl)-1,3-oxazol-2-yl]propan-1-amine
CID 102885542
[5-(2,4,5-trimethoxyphenyl)-1,3-oxazol-2-yl]methanamine
CID 65179670
2-[5-(2-bromo-5-methoxyphenyl)-1,3-oxazol-2-yl]ethanamine
CID 65179079
2-[5-(4-methoxy-2,6-dimethylphenyl)-1,3-oxazol-2-yl]ethanamine
CID 82049351
2-(chloromethyl)-5-(2,5-dimethoxyphenyl)-1,3-oxazole
CID 43144202
5-(2-chloro-4-methoxyphenyl)-1,3-oxazol-2-amine
CID 82287443
2-[5-(2-bromo-5-methoxyphenyl)-1,3-oxazol-2-yl]-N-methylethanamine
CID 65182889
[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]methanamine
CID 65179378
N-[2-[5-(2-fluoro-4-methoxyphenyl)-1,3-oxazol-2-yl]ethyl]-2-methylpropan-2-amine
CID 102885570

Frequently Asked Questions

What is the IUPAC name of [5-(4-methoxy-2-methylphenyl)-1,3-oxazol-2-yl]methanamine?
The IUPAC name of [5-(4-methoxy-2-methylphenyl)-1,3-oxazol-2-yl]methanamine (CID 82360064) is [5-(4-methoxy-2-methylphenyl)-1,3-oxazol-2-yl]methanamine.
What is the SMILES notation for [5-(4-methoxy-2-methylphenyl)-1,3-oxazol-2-yl]methanamine?
The canonical SMILES for [5-(4-methoxy-2-methylphenyl)-1,3-oxazol-2-yl]methanamine is COc1ccc(-c2cnc(CN)o2)c(C)c1.
What is the InChIKey of [5-(4-methoxy-2-methylphenyl)-1,3-oxazol-2-yl]methanamine?
The InChIKey is NNWHXUYVNNFYHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-8-5-9(15-2)3-4-10(8)11-7-14-12(6-13)16-11/h3-5,7H,6,13H2,1-2H3.
What are the key properties of [5-(4-methoxy-2-methylphenyl)-1,3-oxazol-2-yl]methanamine?
[5-(4-methoxy-2-methylphenyl)-1,3-oxazol-2-yl]methanamine has a molecular weight of 218.26 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-methoxy-2-methylphenyl)-1,3-oxazol-2-yl]methanamine is sourced from PubChem (CID 82360064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).