4-(5-methyl-1,3,4-oxadiazol-2-yl)-N-propylaniline

C12H15N3O — CID 165056405

IUPAC4-(5-methyl-1,3,4-oxadiazol-2-yl)-N-propylaniline
SMILESCCCNc1ccc(-c2nnc(C)o2)cc1
InChIInChI=1S/C12H15N3O/c1-3-8-13-11-6-4-10(5-7-11)12-15-14-9(2)16-12/h4-7,13H,3,8H2,1-2H3
InChIKeyOBMQIEXVWXCZGI-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.87
Rot. Bonds4

About 4-(5-methyl-1,3,4-oxadiazol-2-yl)-N-propylaniline

4-(5-methyl-1,3,4-oxadiazol-2-yl)-N-propylaniline (PubChem CID 165056405) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 4-(5-methyl-1,3,4-oxadiazol-2-yl)-N-propylaniline.

Molecular Properties

Compound Name4-(5-methyl-1,3,4-oxadiazol-2-yl)-N-propylaniline
PubChem CID165056405
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name4-(5-methyl-1,3,4-oxadiazol-2-yl)-N-propylaniline
SMILESCCCNc1ccc(-c2nnc(C)o2)cc1
InChIInChI=1S/C12H15N3O/c1-3-8-13-11-6-4-10(5-7-11)12-15-14-9(2)16-12/h4-7,13H,3,8H2,1-2H3
InChIKeyOBMQIEXVWXCZGI-UHFFFAOYSA-N
XLogP2.87
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-methyl-1,3-oxazol-4-yl)-N-propylaniline
CID 43704914
2-amino-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide
CID 164831396
2-(3,4-dimethylphenyl)-5-methyl-1,3,4-oxadiazole
CID 53017476
4-(5-methyl-1,3,4-thiadiazol-2-yl)-N-propylaniline
CID 165056406
N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-2-phenylacetamide
CID 110725539
4-fluoro-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzenesulfonamide
CID 110725588
2-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]ethanamine
CID 82469844
1-(5-hydroxy-4,4-dimethylpentyl)-3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]urea
CID 111618292
3,4-dimethyl-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
CID 110725536
1-[(2-ethylphenyl)methyl]-3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]urea
CID 71864877
N'-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]oxamide
CID 51043020
2-[4-(5-fluoropentyl)phenyl]-5-methyl-1,3,4-oxadiazole
CID 70775236

Frequently Asked Questions

What is the IUPAC name of 4-(5-methyl-1,3,4-oxadiazol-2-yl)-N-propylaniline?
The IUPAC name of 4-(5-methyl-1,3,4-oxadiazol-2-yl)-N-propylaniline (CID 165056405) is 4-(5-methyl-1,3,4-oxadiazol-2-yl)-N-propylaniline.
What is the SMILES notation for 4-(5-methyl-1,3,4-oxadiazol-2-yl)-N-propylaniline?
The canonical SMILES for 4-(5-methyl-1,3,4-oxadiazol-2-yl)-N-propylaniline is CCCNc1ccc(-c2nnc(C)o2)cc1.
What is the InChIKey of 4-(5-methyl-1,3,4-oxadiazol-2-yl)-N-propylaniline?
The InChIKey is OBMQIEXVWXCZGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-3-8-13-11-6-4-10(5-7-11)12-15-14-9(2)16-12/h4-7,13H,3,8H2,1-2H3.
What are the key properties of 4-(5-methyl-1,3,4-oxadiazol-2-yl)-N-propylaniline?
4-(5-methyl-1,3,4-oxadiazol-2-yl)-N-propylaniline has a molecular weight of 217.27 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methyl-1,3,4-oxadiazol-2-yl)-N-propylaniline is sourced from PubChem (CID 165056405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).