3-(2-ethoxy-5-propylphenyl)-1,2-oxazol-5-amine

C14H18N2O2 — CID 3764217

IUPAC3-(2-ethoxy-5-propylphenyl)-1,2-oxazol-5-amine
SMILESCCCc1ccc(OCC)c(-c2cc(N)on2)c1
InChIInChI=1S/C14H18N2O2/c1-3-5-10-6-7-13(17-4-2)11(8-10)12-9-14(15)18-16-12/h6-9H,3-5,15H2,1-2H3
InChIKeyWKJWDEHCLTVZJT-UHFFFAOYSA-N
MW246.31 g/mol
LogP3.28
Rot. Bonds5

About 3-(2-ethoxy-5-propylphenyl)-1,2-oxazol-5-amine

3-(2-ethoxy-5-propylphenyl)-1,2-oxazol-5-amine (PubChem CID 3764217) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 3-(2-ethoxy-5-propylphenyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(2-ethoxy-5-propylphenyl)-1,2-oxazol-5-amine
PubChem CID3764217
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name3-(2-ethoxy-5-propylphenyl)-1,2-oxazol-5-amine
SMILESCCCc1ccc(OCC)c(-c2cc(N)on2)c1
InChIInChI=1S/C14H18N2O2/c1-3-5-10-6-7-13(17-4-2)11(8-10)12-9-14(15)18-16-12/h6-9H,3-5,15H2,1-2H3
InChIKeyWKJWDEHCLTVZJT-UHFFFAOYSA-N
XLogP3.28
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,5-diethoxy-4-phenylphenyl)-1,2-oxazol-5-amine
CID 3717112
3-(4-tert-butyl-2,5-diethoxyphenyl)-1,2-oxazol-5-amine
CID 3814351
1,2-diethoxy-4-propylbenzene
CID 3995471
[3-(2-ethoxy-5-methylphenyl)-1,2-oxazol-5-yl]methanamine
CID 82371443
2-[4-(2-ethoxy-5-ethylphenyl)-1,3-thiazol-2-yl]ethanamine
CID 4223787
3-(2-methoxy-5-propylphenyl)-5-(piperazin-1-ylmethyl)-1,2-oxazole
CID 169196786
4-(2-methoxy-5-propylphenyl)-1,3-thiazole
CID 3562568
2-(5-amino-1,2-oxazol-3-yl)-4-(fluoromethyl)phenol
CID 136998708
3-propyl-1,2-oxazol-5-amine
CID 2104061
5-(3,4-diethoxyphenyl)-4-propyl-1,2-oxazol-3-amine
CID 79412403
3-(2,5-dimethoxy-3,4-dimethylphenyl)-1,2-oxazol-5-amine
CID 117373551
3-(2-ethyl-5-methylphenyl)-1,2-oxazol-5-amine
CID 117290975

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxy-5-propylphenyl)-1,2-oxazol-5-amine?
The IUPAC name of 3-(2-ethoxy-5-propylphenyl)-1,2-oxazol-5-amine (CID 3764217) is 3-(2-ethoxy-5-propylphenyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(2-ethoxy-5-propylphenyl)-1,2-oxazol-5-amine?
The canonical SMILES for 3-(2-ethoxy-5-propylphenyl)-1,2-oxazol-5-amine is CCCc1ccc(OCC)c(-c2cc(N)on2)c1.
What is the InChIKey of 3-(2-ethoxy-5-propylphenyl)-1,2-oxazol-5-amine?
The InChIKey is WKJWDEHCLTVZJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-3-5-10-6-7-13(17-4-2)11(8-10)12-9-14(15)18-16-12/h6-9H,3-5,15H2,1-2H3.
What are the key properties of 3-(2-ethoxy-5-propylphenyl)-1,2-oxazol-5-amine?
3-(2-ethoxy-5-propylphenyl)-1,2-oxazol-5-amine has a molecular weight of 246.31 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxy-5-propylphenyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 3764217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).