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

C12H13ClN2O2 — CID 82298298

IUPAC2-[4-(3-chloro-4-methoxyphenyl)-1,3-oxazol-2-yl]ethanamine
SMILESCOc1ccc(-c2coc(CCN)n2)cc1Cl
InChIInChI=1S/C12H13ClN2O2/c1-16-11-3-2-8(6-9(11)13)10-7-17-12(15-10)4-5-14/h2-3,6-7H,4-5,14H2,1H3
InChIKeyMBKMFWAHSCGIIU-UHFFFAOYSA-N
MW252.70 g/mol
LogP2.50
Rot. Bonds4

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

2-[4-(3-chloro-4-methoxyphenyl)-1,3-oxazol-2-yl]ethanamine (PubChem CID 82298298) has the molecular formula C12H13ClN2O2 and a molecular weight of 252.70 g/mol. Its IUPAC name is 2-[4-(3-chloro-4-methoxyphenyl)-1,3-oxazol-2-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(3-chloro-4-methoxyphenyl)-1,3-oxazol-2-yl]ethanamine
PubChem CID82298298
Molecular FormulaC12H13ClN2O2
Molecular Weight252.70 g/mol
Exact Mass252.07
IUPAC Name2-[4-(3-chloro-4-methoxyphenyl)-1,3-oxazol-2-yl]ethanamine
SMILESCOc1ccc(-c2coc(CCN)n2)cc1Cl
InChIInChI=1S/C12H13ClN2O2/c1-16-11-3-2-8(6-9(11)13)10-7-17-12(15-10)4-5-14/h2-3,6-7H,4-5,14H2,1H3
InChIKeyMBKMFWAHSCGIIU-UHFFFAOYSA-N
XLogP2.50
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.70
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(4-methoxy-3-methylphenyl)-1,3-oxazol-2-yl]ethanamine
CID 82289585
4-(3-chloro-4-methoxyphenyl)-2-methyl-1,3-oxazole
CID 82128057
2-[5-(3-chloro-4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 82131894
2-[4-(5-chloro-2-methoxy-4-methylphenyl)-1,3-oxazol-2-yl]ethanamine
CID 82304626
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
2-[4-(2-methoxyphenyl)-1,3-oxazol-2-yl]ethanamine
CID 82285403
2-[4-(3-methylphenyl)-1,3-oxazol-2-yl]ethanamine
CID 105454374
2-[4-(3-chloro-4-methoxyphenyl)-2-methyl-1,3-oxazol-5-yl]ethanamine
CID 82133922
[5-(3-chloro-4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 82129884
[6-(3-chloro-4-methoxyphenyl)-2-methylpyrimidin-4-yl]methanamine
CID 116857617
2-[2-bromo-4-(3-chloro-4-methoxyphenyl)-1H-imidazol-5-yl]ethanamine
CID 84608942

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-chloro-4-methoxyphenyl)-1,3-oxazol-2-yl]ethanamine?
The IUPAC name of 2-[4-(3-chloro-4-methoxyphenyl)-1,3-oxazol-2-yl]ethanamine (CID 82298298) is 2-[4-(3-chloro-4-methoxyphenyl)-1,3-oxazol-2-yl]ethanamine.
What is the SMILES notation for 2-[4-(3-chloro-4-methoxyphenyl)-1,3-oxazol-2-yl]ethanamine?
The canonical SMILES for 2-[4-(3-chloro-4-methoxyphenyl)-1,3-oxazol-2-yl]ethanamine is COc1ccc(-c2coc(CCN)n2)cc1Cl.
What is the InChIKey of 2-[4-(3-chloro-4-methoxyphenyl)-1,3-oxazol-2-yl]ethanamine?
The InChIKey is MBKMFWAHSCGIIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O2/c1-16-11-3-2-8(6-9(11)13)10-7-17-12(15-10)4-5-14/h2-3,6-7H,4-5,14H2,1H3.
What are the key properties of 2-[4-(3-chloro-4-methoxyphenyl)-1,3-oxazol-2-yl]ethanamine?
2-[4-(3-chloro-4-methoxyphenyl)-1,3-oxazol-2-yl]ethanamine has a molecular weight of 252.70 g/mol, XLogP of 2.50, 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)-1,3-oxazol-2-yl]ethanamine is sourced from PubChem (CID 82298298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).