4-(3-chloro-4-ethyl-5-methoxyphenyl)-1,2-oxazol-5-amine

C12H13ClN2O2 — CID 117384751

IUPAC4-(3-chloro-4-ethyl-5-methoxyphenyl)-1,2-oxazol-5-amine
SMILESCCc1c(Cl)cc(-c2cnoc2N)cc1OC
InChIInChI=1S/C12H13ClN2O2/c1-3-8-10(13)4-7(5-11(8)16-2)9-6-15-17-12(9)14/h4-6H,3,14H2,1-2H3
InChIKeyJFUTZWVWMVHDNU-UHFFFAOYSA-N
MW252.70 g/mol
LogP3.15
Rot. Bonds3

About 4-(3-chloro-4-ethyl-5-methoxyphenyl)-1,2-oxazol-5-amine

4-(3-chloro-4-ethyl-5-methoxyphenyl)-1,2-oxazol-5-amine (PubChem CID 117384751) has the molecular formula C12H13ClN2O2 and a molecular weight of 252.70 g/mol. Its IUPAC name is 4-(3-chloro-4-ethyl-5-methoxyphenyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-(3-chloro-4-ethyl-5-methoxyphenyl)-1,2-oxazol-5-amine
PubChem CID117384751
Molecular FormulaC12H13ClN2O2
Molecular Weight252.70 g/mol
Exact Mass252.07
IUPAC Name4-(3-chloro-4-ethyl-5-methoxyphenyl)-1,2-oxazol-5-amine
SMILESCCc1c(Cl)cc(-c2cnoc2N)cc1OC
InChIInChI=1S/C12H13ClN2O2/c1-3-8-10(13)4-7(5-11(8)16-2)9-6-15-17-12(9)14/h4-6H,3,14H2,1-2H3
InChIKeyJFUTZWVWMVHDNU-UHFFFAOYSA-N
XLogP3.15
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.70
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-Methoxyphenyl)isoxazol-5-amine
CID 61393224
4-(2,4,5-Trifluoro-3-methoxyphenyl)-1,2-oxazol-5-amine
CID 115112274
4-(3-Fluoro-5-methoxyphenyl)-1,2-oxazol-5-amine
CID 117297105
4-(4-Fluoro-3-methoxyphenyl)-1,2-oxazol-5-amine
CID 117297114
4-(2-Fluoro-5-methoxy-3-methylphenyl)-1,2-oxazol-5-amine
CID 117317599
4-(2-Fluoro-5-methoxy-4-methylphenyl)-1,2-oxazol-5-amine
CID 117317600
4-(4-Fluoro-3-methoxy-5-methylphenyl)-1,2-oxazol-5-amine
CID 117317602
4-[2-(Fluoromethyl)-3-methoxyphenyl]-1,2-oxazol-5-amine
CID 117317606
4-(5-Fluoro-3-methoxy-2-methylphenyl)-1,2-oxazol-5-amine
CID 117317609
4-(6-Fluoro-3-methoxy-2-methylphenyl)-1,2-oxazol-5-amine
CID 117317614
4-(5-Fluoro-2-methoxy-4-methylphenyl)-1,2-oxazol-5-amine
CID 117317616
4-(2-Fluoro-3-methoxy-5-methylphenyl)-1,2-oxazol-5-amine
CID 117317622

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-4-ethyl-5-methoxyphenyl)-1,2-oxazol-5-amine?
The IUPAC name of 4-(3-chloro-4-ethyl-5-methoxyphenyl)-1,2-oxazol-5-amine (CID 117384751) is 4-(3-chloro-4-ethyl-5-methoxyphenyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 4-(3-chloro-4-ethyl-5-methoxyphenyl)-1,2-oxazol-5-amine?
The canonical SMILES for 4-(3-chloro-4-ethyl-5-methoxyphenyl)-1,2-oxazol-5-amine is CCc1c(Cl)cc(-c2cnoc2N)cc1OC.
What is the InChIKey of 4-(3-chloro-4-ethyl-5-methoxyphenyl)-1,2-oxazol-5-amine?
The InChIKey is JFUTZWVWMVHDNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O2/c1-3-8-10(13)4-7(5-11(8)16-2)9-6-15-17-12(9)14/h4-6H,3,14H2,1-2H3.
What are the key properties of 4-(3-chloro-4-ethyl-5-methoxyphenyl)-1,2-oxazol-5-amine?
4-(3-chloro-4-ethyl-5-methoxyphenyl)-1,2-oxazol-5-amine has a molecular weight of 252.70 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-4-ethyl-5-methoxyphenyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 117384751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).