4-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethoxy]aniline

C11H13N3O2 — CID 82472359

IUPAC4-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethoxy]aniline
SMILESCc1nnc(CCOc2ccc(N)cc2)o1
InChIInChI=1S/C11H13N3O2/c1-8-13-14-11(16-8)6-7-15-10-4-2-9(12)3-5-10/h2-5H,6-7,12H2,1H3
InChIKeyGNWFNFWRNSLLCN-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.58
Rot. Bonds4

About 4-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethoxy]aniline

4-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethoxy]aniline (PubChem CID 82472359) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 4-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethoxy]aniline.

Molecular Properties

Compound Name4-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethoxy]aniline
PubChem CID82472359
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name4-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethoxy]aniline
SMILESCc1nnc(CCOc2ccc(N)cc2)o1
InChIInChI=1S/C11H13N3O2/c1-8-13-14-11(16-8)6-7-15-10-4-2-9(12)3-5-10/h2-5H,6-7,12H2,1H3
InChIKeyGNWFNFWRNSLLCN-UHFFFAOYSA-N
XLogP1.58
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[(4-ethoxyphenoxy)methyl]-5-methyl-1,3,4-oxadiazole
CID 110655535
2-methyl-5-[(4-propan-2-ylphenoxy)methyl]-1,3,4-oxadiazole
CID 60627683
4-[2-(5-methyl-1H-imidazol-2-yl)ethoxy]aniline
CID 82471920
4-[2-(5-ethyl-4-phenyl-1,3-oxazol-2-yl)ethoxy]aniline
CID 14009974
2-[5-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]-2-pyridinyl]ethanamine
CID 79799511
4-[2-[4-[2-(4-aminophenoxy)ethoxy]phenoxy]ethoxy]aniline;azane
CID 67942387
4-[2-[(2-methyl-1,3-benzoxazol-6-yl)oxy]ethoxy]aniline
CID 117098351
4-[2-(4,5-dimethyl-1H-pyrazol-3-yl)ethoxy]aniline
CID 82474929
4-(2-ethoxyethoxy)aniline
CID 16641299
4-[19-(4-aminophenoxy)nonadecoxy]aniline
CID 139902778
1-[5-(2-phenoxyethyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 62857431
4-(3-ethoxypropoxy)aniline
CID 43365878

Frequently Asked Questions

What is the IUPAC name of 4-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethoxy]aniline?
The IUPAC name of 4-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethoxy]aniline (CID 82472359) is 4-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethoxy]aniline.
What is the SMILES notation for 4-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethoxy]aniline?
The canonical SMILES for 4-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethoxy]aniline is Cc1nnc(CCOc2ccc(N)cc2)o1.
What is the InChIKey of 4-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethoxy]aniline?
The InChIKey is GNWFNFWRNSLLCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-8-13-14-11(16-8)6-7-15-10-4-2-9(12)3-5-10/h2-5H,6-7,12H2,1H3.
What are the key properties of 4-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethoxy]aniline?
4-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethoxy]aniline has a molecular weight of 219.24 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethoxy]aniline is sourced from PubChem (CID 82472359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).