4-(3-chloro-4-ethoxyphenyl)-5-methyl-1,3-oxazol-2-amine

C12H13ClN2O2 — CID 116831819

IUPAC4-(3-chloro-4-ethoxyphenyl)-5-methyl-1,3-oxazol-2-amine
SMILESCCOc1ccc(-c2nc(N)oc2C)cc1Cl
InChIInChI=1S/C12H13ClN2O2/c1-3-16-10-5-4-8(6-9(10)13)11-7(2)17-12(14)15-11/h4-6H,3H2,1-2H3,(H2,14,15)
InChIKeyVHJCETTVXQDHST-UHFFFAOYSA-N
MW252.70 g/mol
LogP3.28
Rot. Bonds3

About 4-(3-chloro-4-ethoxyphenyl)-5-methyl-1,3-oxazol-2-amine

4-(3-chloro-4-ethoxyphenyl)-5-methyl-1,3-oxazol-2-amine (PubChem CID 116831819) has the molecular formula C12H13ClN2O2 and a molecular weight of 252.70 g/mol. Its IUPAC name is 4-(3-chloro-4-ethoxyphenyl)-5-methyl-1,3-oxazol-2-amine.

Molecular Properties

Compound Name4-(3-chloro-4-ethoxyphenyl)-5-methyl-1,3-oxazol-2-amine
PubChem CID116831819
Molecular FormulaC12H13ClN2O2
Molecular Weight252.70 g/mol
Exact Mass252.07
IUPAC Name4-(3-chloro-4-ethoxyphenyl)-5-methyl-1,3-oxazol-2-amine
SMILESCCOc1ccc(-c2nc(N)oc2C)cc1Cl
InChIInChI=1S/C12H13ClN2O2/c1-3-16-10-5-4-8(6-9(10)13)11-7(2)17-12(14)15-11/h4-6H,3H2,1-2H3,(H2,14,15)
InChIKeyVHJCETTVXQDHST-UHFFFAOYSA-N
XLogP3.28
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 ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-(aminomethyl)-4-methoxyphenyl]-5-methyl-1,3-oxazol-2-amine
CID 115039437
4-(4-ethoxy-3-fluorophenyl)-5-ethyl-1,3-oxazol-2-amine
CID 116831911
3,5-dichloro-6-(3,4-diethoxyphenyl)pyridin-2-amine
CID 102753063
[5-(3-chloro-4-ethoxyphenyl)-1,3-oxazol-2-yl]methanamine
CID 82298313
2-chloro-4-(3-chloro-4-ethoxyphenyl)pyridine
CID 164891716
2-amino-4-(2-amino-5-methyl-1,3-oxazol-4-yl)phenol
CID 115023924
2-[5-(3-chloro-4-ethoxyphenyl)-1,3-oxazol-2-yl]ethanamine
CID 95471843
4-(3,4-diethoxyphenyl)-5-methyl-1,3-thiazol-2-amine
CID 43141109
4-(3-bromo-4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-amine
CID 113438118
2-chloro-4-(3,4-diethoxyphenyl)aniline
CID 107607652
4-chloro-6-(3-chloro-4-ethoxyphenyl)pyrimidine
CID 24902174
2-(bromomethyl)-4-(3-chloro-4-ethoxyphenyl)-1,3-thiazole
CID 116970308

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-4-ethoxyphenyl)-5-methyl-1,3-oxazol-2-amine?
The IUPAC name of 4-(3-chloro-4-ethoxyphenyl)-5-methyl-1,3-oxazol-2-amine (CID 116831819) is 4-(3-chloro-4-ethoxyphenyl)-5-methyl-1,3-oxazol-2-amine.
What is the SMILES notation for 4-(3-chloro-4-ethoxyphenyl)-5-methyl-1,3-oxazol-2-amine?
The canonical SMILES for 4-(3-chloro-4-ethoxyphenyl)-5-methyl-1,3-oxazol-2-amine is CCOc1ccc(-c2nc(N)oc2C)cc1Cl.
What is the InChIKey of 4-(3-chloro-4-ethoxyphenyl)-5-methyl-1,3-oxazol-2-amine?
The InChIKey is VHJCETTVXQDHST-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O2/c1-3-16-10-5-4-8(6-9(10)13)11-7(2)17-12(14)15-11/h4-6H,3H2,1-2H3,(H2,14,15).
What are the key properties of 4-(3-chloro-4-ethoxyphenyl)-5-methyl-1,3-oxazol-2-amine?
4-(3-chloro-4-ethoxyphenyl)-5-methyl-1,3-oxazol-2-amine has a molecular weight of 252.70 g/mol, XLogP of 3.28, 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-ethoxyphenyl)-5-methyl-1,3-oxazol-2-amine is sourced from PubChem (CID 116831819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).