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

C15H13N3O2 — CID 834523

IUPAC4-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]aniline
SMILESCOc1cccc(-c2nnc(-c3ccc(N)cc3)o2)c1
InChIInChI=1S/C15H13N3O2/c1-19-13-4-2-3-11(9-13)15-18-17-14(20-15)10-5-7-12(16)8-6-10/h2-9H,16H2,1H3
InChIKeyBVXHGTFGNRFYIP-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.99
Rot. Bonds3

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

4-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]aniline (PubChem CID 834523) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 4-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]aniline.

Molecular Properties

Compound Name4-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]aniline
PubChem CID834523
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name4-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]aniline
SMILESCOc1cccc(-c2nnc(-c3ccc(N)cc3)o2)c1
InChIInChI=1S/C15H13N3O2/c1-19-13-4-2-3-11(9-13)15-18-17-14(20-15)10-5-7-12(16)8-6-10/h2-9H,16H2,1H3
InChIKeyBVXHGTFGNRFYIP-UHFFFAOYSA-N
XLogP2.99
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]aniline?
The IUPAC name of 4-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]aniline (CID 834523) is 4-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]aniline.
What is the SMILES notation for 4-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]aniline?
The canonical SMILES for 4-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]aniline is COc1cccc(-c2nnc(-c3ccc(N)cc3)o2)c1.
What is the InChIKey of 4-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]aniline?
The InChIKey is BVXHGTFGNRFYIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c1-19-13-4-2-3-11(9-13)15-18-17-14(20-15)10-5-7-12(16)8-6-10/h2-9H,16H2,1H3.
What are the key properties of 4-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]aniline?
4-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]aniline has a molecular weight of 267.29 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]aniline is sourced from PubChem (CID 834523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).