5-(3,4-diethoxyphenyl)-4-propyl-1,2-oxazol-3-amine

C16H22N2O3 — CID 79412403

IUPAC5-(3,4-diethoxyphenyl)-4-propyl-1,2-oxazol-3-amine
SMILESCCCc1c(N)noc1-c1ccc(OCC)c(OCC)c1
InChIInChI=1S/C16H22N2O3/c1-4-7-12-15(21-18-16(12)17)11-8-9-13(19-5-2)14(10-11)20-6-3/h8-10H,4-7H2,1-3H3,(H2,17,18)
InChIKeyRTEVJLZVWCXXFK-UHFFFAOYSA-N
MW290.36 g/mol
LogP3.67
Rot. Bonds7

About 5-(3,4-diethoxyphenyl)-4-propyl-1,2-oxazol-3-amine

5-(3,4-diethoxyphenyl)-4-propyl-1,2-oxazol-3-amine (PubChem CID 79412403) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 5-(3,4-diethoxyphenyl)-4-propyl-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(3,4-diethoxyphenyl)-4-propyl-1,2-oxazol-3-amine
PubChem CID79412403
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name5-(3,4-diethoxyphenyl)-4-propyl-1,2-oxazol-3-amine
SMILESCCCc1c(N)noc1-c1ccc(OCC)c(OCC)c1
InChIInChI=1S/C16H22N2O3/c1-4-7-12-15(21-18-16(12)17)11-8-9-13(19-5-2)14(10-11)20-6-3/h8-10H,4-7H2,1-3H3,(H2,17,18)
InChIKeyRTEVJLZVWCXXFK-UHFFFAOYSA-N
XLogP3.67
TPSA70.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-diethoxyphenyl)-4-propyl-1,2-oxazol-3-amine?
The IUPAC name of 5-(3,4-diethoxyphenyl)-4-propyl-1,2-oxazol-3-amine (CID 79412403) is 5-(3,4-diethoxyphenyl)-4-propyl-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(3,4-diethoxyphenyl)-4-propyl-1,2-oxazol-3-amine?
The canonical SMILES for 5-(3,4-diethoxyphenyl)-4-propyl-1,2-oxazol-3-amine is CCCc1c(N)noc1-c1ccc(OCC)c(OCC)c1.
What is the InChIKey of 5-(3,4-diethoxyphenyl)-4-propyl-1,2-oxazol-3-amine?
The InChIKey is RTEVJLZVWCXXFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-4-7-12-15(21-18-16(12)17)11-8-9-13(19-5-2)14(10-11)20-6-3/h8-10H,4-7H2,1-3H3,(H2,17,18).
What are the key properties of 5-(3,4-diethoxyphenyl)-4-propyl-1,2-oxazol-3-amine?
5-(3,4-diethoxyphenyl)-4-propyl-1,2-oxazol-3-amine has a molecular weight of 290.36 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-diethoxyphenyl)-4-propyl-1,2-oxazol-3-amine is sourced from PubChem (CID 79412403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).