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

C15H13N3O2 — CID 1380741

IUPAC4-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]aniline
SMILESCOc1ccc(-c2nnc(-c3ccc(N)cc3)o2)cc1
InChIInChI=1S/C15H13N3O2/c1-19-13-8-4-11(5-9-13)15-18-17-14(20-15)10-2-6-12(16)7-3-10/h2-9H,16H2,1H3
InChIKeyDDDUQQYRWNLBCN-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.99
Rot. Bonds3

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

4-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]aniline (PubChem CID 1380741) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 4-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]aniline.

Molecular Properties

Compound Name4-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]aniline
PubChem CID1380741
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name4-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]aniline
SMILESCOc1ccc(-c2nnc(-c3ccc(N)cc3)o2)cc1
InChIInChI=1S/C15H13N3O2/c1-19-13-8-4-11(5-9-13)15-18-17-14(20-15)10-2-6-12(16)7-3-10/h2-9H,16H2,1H3
InChIKeyDDDUQQYRWNLBCN-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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Related Compounds

4,4'-(1,3,4-Oxadiazole-2,5-diyl)dianiline
CID 75505
2-(4-Methoxyphenyl)-5-phenyl-1,3,4-oxadiazole
CID 70052
2-(4-Methoxyphenyl)-5-(4-methylphenyl)-1,3,4-oxadiazole
CID 622283
4-(5-Phenyl-1,3,4-oxadiazol-2-yl)aniline
CID 818368
2-(4-Fluorophenyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 729586
4-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N,N-dimethylaniline
CID 743142
2-(4-Iodophenyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 46227022
2-(4-Ethoxy-phenyl)-5-phenyl-[1,3,4]oxadiazole
CID 865999
4-[5-(3-Methylphenyl)-1,3,4-oxadiazol-2-yl]aniline
CID 974925
5-(4-methoxyphenyl)-N-phenyl-1,3,4-oxadiazol-2-amine
CID 13901969
2,5-Bis(4-methoxyphenyl)-1,3,4-oxadiazole
CID 70059
2-(4-Methoxyphenyl)-5-propyl-1,3,4-oxadiazole
CID 833644

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]aniline?
The IUPAC name of 4-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]aniline (CID 1380741) is 4-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]aniline.
What is the SMILES notation for 4-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]aniline?
The canonical SMILES for 4-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]aniline is COc1ccc(-c2nnc(-c3ccc(N)cc3)o2)cc1.
What is the InChIKey of 4-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]aniline?
The InChIKey is DDDUQQYRWNLBCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c1-19-13-8-4-11(5-9-13)15-18-17-14(20-15)10-2-6-12(16)7-3-10/h2-9H,16H2,1H3.
What are the key properties of 4-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]aniline?
4-[5-(4-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-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]aniline is sourced from PubChem (CID 1380741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).