2-[4-(3-chloro-4-methoxyphenyl)-2-methyl-1,3-oxazol-5-yl]ethanamine

C13H15ClN2O2 — CID 82133922

IUPAC2-[4-(3-chloro-4-methoxyphenyl)-2-methyl-1,3-oxazol-5-yl]ethanamine
SMILESCOc1ccc(-c2nc(C)oc2CCN)cc1Cl
InChIInChI=1S/C13H15ClN2O2/c1-8-16-13(12(18-8)5-6-15)9-3-4-11(17-2)10(14)7-9/h3-4,7H,5-6,15H2,1-2H3
InChIKeyUNAHCQVIPQCPND-UHFFFAOYSA-N
MW266.73 g/mol
LogP2.81
Rot. Bonds4

About 2-[4-(3-chloro-4-methoxyphenyl)-2-methyl-1,3-oxazol-5-yl]ethanamine

2-[4-(3-chloro-4-methoxyphenyl)-2-methyl-1,3-oxazol-5-yl]ethanamine (PubChem CID 82133922) has the molecular formula C13H15ClN2O2 and a molecular weight of 266.73 g/mol. Its IUPAC name is 2-[4-(3-chloro-4-methoxyphenyl)-2-methyl-1,3-oxazol-5-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(3-chloro-4-methoxyphenyl)-2-methyl-1,3-oxazol-5-yl]ethanamine
PubChem CID82133922
Molecular FormulaC13H15ClN2O2
Molecular Weight266.73 g/mol
Exact Mass266.08
IUPAC Name2-[4-(3-chloro-4-methoxyphenyl)-2-methyl-1,3-oxazol-5-yl]ethanamine
SMILESCOc1ccc(-c2nc(C)oc2CCN)cc1Cl
InChIInChI=1S/C13H15ClN2O2/c1-8-16-13(12(18-8)5-6-15)9-3-4-11(17-2)10(14)7-9/h3-4,7H,5-6,15H2,1-2H3
InChIKeyUNAHCQVIPQCPND-UHFFFAOYSA-N
XLogP2.81
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.73
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(2,5-dimethoxyphenyl)-2-methyl-1,3-oxazol-5-yl]ethanamine
CID 94693410
2-[4-(4-fluoro-3-methylphenyl)-2-methyl-1,3-oxazol-5-yl]ethanamine
CID 82129199
2-[2-bromo-4-(3-chloro-4-methoxyphenyl)-1H-imidazol-5-yl]ethanamine
CID 84608942
2-[5-(3-chloro-4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 82131894
2-[4-(3-chloro-4-methoxyphenyl)-1,3-oxazol-2-yl]ethanamine
CID 82298298
2-[4-(3-fluoro-4-methoxyphenyl)-2-methyl-1,3-oxazol-5-yl]acetic acid
CID 82133676
2-[4-(4-methoxy-3-methylphenyl)-2-methyl-1,3-oxazol-5-yl]acetic acid
CID 82132981
2-[3-(3-chloro-4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]ethanamine
CID 82481625
2-[6-(3-chloro-4-methoxyphenyl)pyridazin-3-yl]ethanamine
CID 82303495
4-(3-chloro-4-methoxyphenyl)-2-methyl-1,3-oxazole
CID 82128057
[5-(3-chloro-4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 82129884
3-(3-chloro-4-methoxyphenyl)-5-methyl-1,2,4-oxadiazole
CID 59007023

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-chloro-4-methoxyphenyl)-2-methyl-1,3-oxazol-5-yl]ethanamine?
The IUPAC name of 2-[4-(3-chloro-4-methoxyphenyl)-2-methyl-1,3-oxazol-5-yl]ethanamine (CID 82133922) is 2-[4-(3-chloro-4-methoxyphenyl)-2-methyl-1,3-oxazol-5-yl]ethanamine.
What is the SMILES notation for 2-[4-(3-chloro-4-methoxyphenyl)-2-methyl-1,3-oxazol-5-yl]ethanamine?
The canonical SMILES for 2-[4-(3-chloro-4-methoxyphenyl)-2-methyl-1,3-oxazol-5-yl]ethanamine is COc1ccc(-c2nc(C)oc2CCN)cc1Cl.
What is the InChIKey of 2-[4-(3-chloro-4-methoxyphenyl)-2-methyl-1,3-oxazol-5-yl]ethanamine?
The InChIKey is UNAHCQVIPQCPND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O2/c1-8-16-13(12(18-8)5-6-15)9-3-4-11(17-2)10(14)7-9/h3-4,7H,5-6,15H2,1-2H3.
What are the key properties of 2-[4-(3-chloro-4-methoxyphenyl)-2-methyl-1,3-oxazol-5-yl]ethanamine?
2-[4-(3-chloro-4-methoxyphenyl)-2-methyl-1,3-oxazol-5-yl]ethanamine has a molecular weight of 266.73 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-chloro-4-methoxyphenyl)-2-methyl-1,3-oxazol-5-yl]ethanamine is sourced from PubChem (CID 82133922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).