3-methoxy-4-(5-propyl-1,3,4-oxadiazol-2-yl)aniline

C12H15N3O2 — CID 113452620

IUPAC3-methoxy-4-(5-propyl-1,3,4-oxadiazol-2-yl)aniline
SMILESCCCc1nnc(-c2ccc(N)cc2OC)o1
InChIInChI=1S/C12H15N3O2/c1-3-4-11-14-15-12(17-11)9-6-5-8(13)7-10(9)16-2/h5-7H,3-4,13H2,1-2H3
InChIKeyACBKEZAVRHQLOD-UHFFFAOYSA-N
MW233.27 g/mol
LogP2.28
Rot. Bonds4

About 3-methoxy-4-(5-propyl-1,3,4-oxadiazol-2-yl)aniline

3-methoxy-4-(5-propyl-1,3,4-oxadiazol-2-yl)aniline (PubChem CID 113452620) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 3-methoxy-4-(5-propyl-1,3,4-oxadiazol-2-yl)aniline.

Molecular Properties

Compound Name3-methoxy-4-(5-propyl-1,3,4-oxadiazol-2-yl)aniline
PubChem CID113452620
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name3-methoxy-4-(5-propyl-1,3,4-oxadiazol-2-yl)aniline
SMILESCCCc1nnc(-c2ccc(N)cc2OC)o1
InChIInChI=1S/C12H15N3O2/c1-3-4-11-14-15-12(17-11)9-6-5-8(13)7-10(9)16-2/h5-7H,3-4,13H2,1-2H3
InChIKeyACBKEZAVRHQLOD-UHFFFAOYSA-N
XLogP2.28
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-4-(5-propyl-1,3,4-oxadiazol-2-yl)aniline
CID 104783442
3-methoxy-4-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)aniline
CID 96669531
2-[5-(4-bromo-2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine
CID 113296187
[5-(2,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 55034671
2-(chloromethyl)-5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazole
CID 18070785
N-[[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine
CID 62137383
3-methoxy-4-(5-methyl-1,3-oxazol-2-yl)aniline
CID 82469943
2-[5-(2,3-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 62069714
[5-(5-ethyl-2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 82475517
[5-(2,3,4-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 62070228
3-[5-(3-methoxy-4-pyridinyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 105064429
2-[5-(5-chloro-2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine
CID 62163424

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-(5-propyl-1,3,4-oxadiazol-2-yl)aniline?
The IUPAC name of 3-methoxy-4-(5-propyl-1,3,4-oxadiazol-2-yl)aniline (CID 113452620) is 3-methoxy-4-(5-propyl-1,3,4-oxadiazol-2-yl)aniline.
What is the SMILES notation for 3-methoxy-4-(5-propyl-1,3,4-oxadiazol-2-yl)aniline?
The canonical SMILES for 3-methoxy-4-(5-propyl-1,3,4-oxadiazol-2-yl)aniline is CCCc1nnc(-c2ccc(N)cc2OC)o1.
What is the InChIKey of 3-methoxy-4-(5-propyl-1,3,4-oxadiazol-2-yl)aniline?
The InChIKey is ACBKEZAVRHQLOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-3-4-11-14-15-12(17-11)9-6-5-8(13)7-10(9)16-2/h5-7H,3-4,13H2,1-2H3.
What are the key properties of 3-methoxy-4-(5-propyl-1,3,4-oxadiazol-2-yl)aniline?
3-methoxy-4-(5-propyl-1,3,4-oxadiazol-2-yl)aniline has a molecular weight of 233.27 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-(5-propyl-1,3,4-oxadiazol-2-yl)aniline is sourced from PubChem (CID 113452620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).