[5-(2-methoxy-4-propan-2-ylphenyl)-1,2-oxazol-4-yl]methanamine

C14H18N2O2 — CID 82295318

IUPAC[5-(2-methoxy-4-propan-2-ylphenyl)-1,2-oxazol-4-yl]methanamine
SMILESCOc1cc(C(C)C)ccc1-c1oncc1CN
InChIInChI=1S/C14H18N2O2/c1-9(2)10-4-5-12(13(6-10)17-3)14-11(7-15)8-16-18-14/h4-6,8-9H,7,15H2,1-3H3
InChIKeyWECMUPBXRKRUFO-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.93
Rot. Bonds4

About [5-(2-methoxy-4-propan-2-ylphenyl)-1,2-oxazol-4-yl]methanamine

[5-(2-methoxy-4-propan-2-ylphenyl)-1,2-oxazol-4-yl]methanamine (PubChem CID 82295318) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is [5-(2-methoxy-4-propan-2-ylphenyl)-1,2-oxazol-4-yl]methanamine.

Molecular Properties

Compound Name[5-(2-methoxy-4-propan-2-ylphenyl)-1,2-oxazol-4-yl]methanamine
PubChem CID82295318
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name[5-(2-methoxy-4-propan-2-ylphenyl)-1,2-oxazol-4-yl]methanamine
SMILESCOc1cc(C(C)C)ccc1-c1oncc1CN
InChIInChI=1S/C14H18N2O2/c1-9(2)10-4-5-12(13(6-10)17-3)14-11(7-15)8-16-18-14/h4-6,8-9H,7,15H2,1-3H3
InChIKeyWECMUPBXRKRUFO-UHFFFAOYSA-N
XLogP2.93
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(3,4-dimethoxyphenyl)-1,2-oxazol-4-yl]methanamine
CID 82290574
5-(2-methoxy-4-propan-2-ylphenyl)-4-methyl-1,3-oxazol-2-amine
CID 116831725
[5-(3-ethyl-4-methoxyphenyl)-1,2-oxazol-4-yl]methanamine
CID 82289626
2-[5-(2-methoxyphenyl)-1,2-oxazol-4-yl]ethanamine
CID 82285402
2-[5-(5-bromo-2-methoxyphenyl)-1,2-oxazol-4-yl]ethanamine
CID 82308142
N'-[(2-methoxy-4-propan-2-ylphenyl)methyl]-2-methylpropane-1,3-diamine
CID 115198519
2-chloro-5-(2-methoxy-4-propan-2-ylphenyl)-1H-imidazole
CID 116884410
2-[5-(2-methoxy-5-propan-2-ylphenyl)-1,2-oxazol-3-yl]ethanamine
CID 96665567
[5-(2-methoxy-4-propan-2-ylphenyl)-1H-imidazol-2-yl]methanol
CID 116878297
3-[(2-methoxy-5-propan-2-ylphenyl)methyl]-1,2-oxazol-5-amine
CID 82086137
6-(2-methoxy-4-propan-2-ylphenyl)-N-methylpyridazin-3-amine
CID 82483067
[5-(5-tert-butyl-2-methylphenyl)-1,2-oxazol-4-yl]methanamine
CID 82294383

Frequently Asked Questions

What is the IUPAC name of [5-(2-methoxy-4-propan-2-ylphenyl)-1,2-oxazol-4-yl]methanamine?
The IUPAC name of [5-(2-methoxy-4-propan-2-ylphenyl)-1,2-oxazol-4-yl]methanamine (CID 82295318) is [5-(2-methoxy-4-propan-2-ylphenyl)-1,2-oxazol-4-yl]methanamine.
What is the SMILES notation for [5-(2-methoxy-4-propan-2-ylphenyl)-1,2-oxazol-4-yl]methanamine?
The canonical SMILES for [5-(2-methoxy-4-propan-2-ylphenyl)-1,2-oxazol-4-yl]methanamine is COc1cc(C(C)C)ccc1-c1oncc1CN.
What is the InChIKey of [5-(2-methoxy-4-propan-2-ylphenyl)-1,2-oxazol-4-yl]methanamine?
The InChIKey is WECMUPBXRKRUFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-9(2)10-4-5-12(13(6-10)17-3)14-11(7-15)8-16-18-14/h4-6,8-9H,7,15H2,1-3H3.
What are the key properties of [5-(2-methoxy-4-propan-2-ylphenyl)-1,2-oxazol-4-yl]methanamine?
[5-(2-methoxy-4-propan-2-ylphenyl)-1,2-oxazol-4-yl]methanamine has a molecular weight of 246.31 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-methoxy-4-propan-2-ylphenyl)-1,2-oxazol-4-yl]methanamine is sourced from PubChem (CID 82295318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).