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

C14H18N2O2 — CID 66200570

IUPAC5-butyl-4-(2-methoxyphenyl)-1,2-oxazol-3-amine
SMILESCCCCc1onc(N)c1-c1ccccc1OC
InChIInChI=1S/C14H18N2O2/c1-3-4-8-12-13(14(15)16-18-12)10-7-5-6-9-11(10)17-2/h5-7,9H,3-4,8H2,1-2H3,(H2,15,16)
InChIKeyAZSOFFJZPHGHKG-UHFFFAOYSA-N
MW246.31 g/mol
LogP3.28
Rot. Bonds5

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

5-butyl-4-(2-methoxyphenyl)-1,2-oxazol-3-amine (PubChem CID 66200570) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 5-butyl-4-(2-methoxyphenyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-butyl-4-(2-methoxyphenyl)-1,2-oxazol-3-amine
PubChem CID66200570
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name5-butyl-4-(2-methoxyphenyl)-1,2-oxazol-3-amine
SMILESCCCCc1onc(N)c1-c1ccccc1OC
InChIInChI=1S/C14H18N2O2/c1-3-4-8-12-13(14(15)16-18-12)10-7-5-6-9-11(10)17-2/h5-7,9H,3-4,8H2,1-2H3,(H2,15,16)
InChIKeyAZSOFFJZPHGHKG-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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Frequently Asked Questions

What is the IUPAC name of 5-butyl-4-(2-methoxyphenyl)-1,2-oxazol-3-amine?
The IUPAC name of 5-butyl-4-(2-methoxyphenyl)-1,2-oxazol-3-amine (CID 66200570) is 5-butyl-4-(2-methoxyphenyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 5-butyl-4-(2-methoxyphenyl)-1,2-oxazol-3-amine?
The canonical SMILES for 5-butyl-4-(2-methoxyphenyl)-1,2-oxazol-3-amine is CCCCc1onc(N)c1-c1ccccc1OC.
What is the InChIKey of 5-butyl-4-(2-methoxyphenyl)-1,2-oxazol-3-amine?
The InChIKey is AZSOFFJZPHGHKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-3-4-8-12-13(14(15)16-18-12)10-7-5-6-9-11(10)17-2/h5-7,9H,3-4,8H2,1-2H3,(H2,15,16).
What are the key properties of 5-butyl-4-(2-methoxyphenyl)-1,2-oxazol-3-amine?
5-butyl-4-(2-methoxyphenyl)-1,2-oxazol-3-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 5-butyl-4-(2-methoxyphenyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 66200570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).