3-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methoxy-N-pentan-3-ylaniline

C17H24N2O2 — CID 57465589

IUPAC3-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methoxy-N-pentan-3-ylaniline
SMILESCCC(CC)Nc1ccc(OC)c(-c2c(C)noc2C)c1
InChIInChI=1S/C17H24N2O2/c1-6-13(7-2)18-14-8-9-16(20-5)15(10-14)17-11(3)19-21-12(17)4/h8-10,13,18H,6-7H2,1-5H3
InChIKeyOQFLZETZUBMHLM-UHFFFAOYSA-N
MW288.39 g/mol
LogP4.57
Rot. Bonds6

About 3-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methoxy-N-pentan-3-ylaniline

3-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methoxy-N-pentan-3-ylaniline (PubChem CID 57465589) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methoxy-N-pentan-3-ylaniline.

Molecular Properties

Compound Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methoxy-N-pentan-3-ylaniline
PubChem CID57465589
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methoxy-N-pentan-3-ylaniline
SMILESCCC(CC)Nc1ccc(OC)c(-c2c(C)noc2C)c1
InChIInChI=1S/C17H24N2O2/c1-6-13(7-2)18-14-8-9-16(20-5)15(10-14)17-11(3)19-21-12(17)4/h8-10,13,18H,6-7H2,1-5H3
InChIKeyOQFLZETZUBMHLM-UHFFFAOYSA-N
XLogP4.57
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methoxy-N-pentan-3-ylaniline?
The IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methoxy-N-pentan-3-ylaniline (CID 57465589) is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methoxy-N-pentan-3-ylaniline.
What is the SMILES notation for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methoxy-N-pentan-3-ylaniline?
The canonical SMILES for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methoxy-N-pentan-3-ylaniline is CCC(CC)Nc1ccc(OC)c(-c2c(C)noc2C)c1.
What is the InChIKey of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methoxy-N-pentan-3-ylaniline?
The InChIKey is OQFLZETZUBMHLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-6-13(7-2)18-14-8-9-16(20-5)15(10-14)17-11(3)19-21-12(17)4/h8-10,13,18H,6-7H2,1-5H3.
What are the key properties of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methoxy-N-pentan-3-ylaniline?
3-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methoxy-N-pentan-3-ylaniline has a molecular weight of 288.39 g/mol, XLogP of 4.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methoxy-N-pentan-3-ylaniline is sourced from PubChem (CID 57465589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).