4-(2-methyl-1,3-oxazol-4-yl)-N-propylaniline

C13H16N2O — CID 43704914

IUPAC4-(2-methyl-1,3-oxazol-4-yl)-N-propylaniline
SMILESCCCNc1ccc(-c2coc(C)n2)cc1
InChIInChI=1S/C13H16N2O/c1-3-8-14-12-6-4-11(5-7-12)13-9-16-10(2)15-13/h4-7,9,14H,3,8H2,1-2H3
InChIKeyWHSIQVJUICKRLK-UHFFFAOYSA-N
MW216.28 g/mol
LogP3.47
Rot. Bonds4

About 4-(2-methyl-1,3-oxazol-4-yl)-N-propylaniline

4-(2-methyl-1,3-oxazol-4-yl)-N-propylaniline (PubChem CID 43704914) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 4-(2-methyl-1,3-oxazol-4-yl)-N-propylaniline.

Molecular Properties

Compound Name4-(2-methyl-1,3-oxazol-4-yl)-N-propylaniline
PubChem CID43704914
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name4-(2-methyl-1,3-oxazol-4-yl)-N-propylaniline
SMILESCCCNc1ccc(-c2coc(C)n2)cc1
InChIInChI=1S/C13H16N2O/c1-3-8-14-12-6-4-11(5-7-12)13-9-16-10(2)15-13/h4-7,9,14H,3,8H2,1-2H3
InChIKeyWHSIQVJUICKRLK-UHFFFAOYSA-N
XLogP3.47
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-1,3-oxazol-4-yl)-N-propylaniline?
The IUPAC name of 4-(2-methyl-1,3-oxazol-4-yl)-N-propylaniline (CID 43704914) is 4-(2-methyl-1,3-oxazol-4-yl)-N-propylaniline.
What is the SMILES notation for 4-(2-methyl-1,3-oxazol-4-yl)-N-propylaniline?
The canonical SMILES for 4-(2-methyl-1,3-oxazol-4-yl)-N-propylaniline is CCCNc1ccc(-c2coc(C)n2)cc1.
What is the InChIKey of 4-(2-methyl-1,3-oxazol-4-yl)-N-propylaniline?
The InChIKey is WHSIQVJUICKRLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-3-8-14-12-6-4-11(5-7-12)13-9-16-10(2)15-13/h4-7,9,14H,3,8H2,1-2H3.
What are the key properties of 4-(2-methyl-1,3-oxazol-4-yl)-N-propylaniline?
4-(2-methyl-1,3-oxazol-4-yl)-N-propylaniline has a molecular weight of 216.28 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-1,3-oxazol-4-yl)-N-propylaniline is sourced from PubChem (CID 43704914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).