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

C14H18N2O2 — CID 79413104

IUPAC5-(3-methoxy-4-methylphenyl)-4-propyl-1,2-oxazol-3-amine
SMILESCCCc1c(N)noc1-c1ccc(C)c(OC)c1
InChIInChI=1S/C14H18N2O2/c1-4-5-11-13(18-16-14(11)15)10-7-6-9(2)12(8-10)17-3/h6-8H,4-5H2,1-3H3,(H2,15,16)
InChIKeyUBDJPIXOATUXHS-UHFFFAOYSA-N
MW246.31 g/mol
LogP3.19
Rot. Bonds4

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

5-(3-methoxy-4-methylphenyl)-4-propyl-1,2-oxazol-3-amine (PubChem CID 79413104) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 5-(3-methoxy-4-methylphenyl)-4-propyl-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(3-methoxy-4-methylphenyl)-4-propyl-1,2-oxazol-3-amine
PubChem CID79413104
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name5-(3-methoxy-4-methylphenyl)-4-propyl-1,2-oxazol-3-amine
SMILESCCCc1c(N)noc1-c1ccc(C)c(OC)c1
InChIInChI=1S/C14H18N2O2/c1-4-5-11-13(18-16-14(11)15)10-7-6-9(2)12(8-10)17-3/h6-8H,4-5H2,1-3H3,(H2,15,16)
InChIKeyUBDJPIXOATUXHS-UHFFFAOYSA-N
XLogP3.19
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxy-4-methylphenyl)-4-propyl-1,2-oxazol-3-amine?
The IUPAC name of 5-(3-methoxy-4-methylphenyl)-4-propyl-1,2-oxazol-3-amine (CID 79413104) is 5-(3-methoxy-4-methylphenyl)-4-propyl-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(3-methoxy-4-methylphenyl)-4-propyl-1,2-oxazol-3-amine?
The canonical SMILES for 5-(3-methoxy-4-methylphenyl)-4-propyl-1,2-oxazol-3-amine is CCCc1c(N)noc1-c1ccc(C)c(OC)c1.
What is the InChIKey of 5-(3-methoxy-4-methylphenyl)-4-propyl-1,2-oxazol-3-amine?
The InChIKey is UBDJPIXOATUXHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-4-5-11-13(18-16-14(11)15)10-7-6-9(2)12(8-10)17-3/h6-8H,4-5H2,1-3H3,(H2,15,16).
What are the key properties of 5-(3-methoxy-4-methylphenyl)-4-propyl-1,2-oxazol-3-amine?
5-(3-methoxy-4-methylphenyl)-4-propyl-1,2-oxazol-3-amine has a molecular weight of 246.31 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxy-4-methylphenyl)-4-propyl-1,2-oxazol-3-amine is sourced from PubChem (CID 79413104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).