4-N-(2,5-dimethoxyphenyl)-2,1,3-benzoxadiazole-4,7-diamine

C14H14N4O3 — CID 43518537

IUPAC4-N-(2,5-dimethoxyphenyl)-2,1,3-benzoxadiazole-4,7-diamine
SMILESCOc1ccc(OC)c(Nc2ccc(N)c3nonc23)c1
InChIInChI=1S/C14H14N4O3/c1-19-8-3-6-12(20-2)11(7-8)16-10-5-4-9(15)13-14(10)18-21-17-13/h3-7,16H,15H2,1-2H3
InChIKeyRKDVVYWXFYDAFU-UHFFFAOYSA-N
MW286.29 g/mol
LogP2.57
Rot. Bonds4

About 4-N-(2,5-dimethoxyphenyl)-2,1,3-benzoxadiazole-4,7-diamine

4-N-(2,5-dimethoxyphenyl)-2,1,3-benzoxadiazole-4,7-diamine (PubChem CID 43518537) has the molecular formula C14H14N4O3 and a molecular weight of 286.29 g/mol. Its IUPAC name is 4-N-(2,5-dimethoxyphenyl)-2,1,3-benzoxadiazole-4,7-diamine.

Molecular Properties

Compound Name4-N-(2,5-dimethoxyphenyl)-2,1,3-benzoxadiazole-4,7-diamine
PubChem CID43518537
Molecular FormulaC14H14N4O3
Molecular Weight286.29 g/mol
Exact Mass286.11
IUPAC Name4-N-(2,5-dimethoxyphenyl)-2,1,3-benzoxadiazole-4,7-diamine
SMILESCOc1ccc(OC)c(Nc2ccc(N)c3nonc23)c1
InChIInChI=1S/C14H14N4O3/c1-19-8-3-6-12(20-2)11(7-8)16-10-5-4-9(15)13-14(10)18-21-17-13/h3-7,16H,15H2,1-2H3
InChIKeyRKDVVYWXFYDAFU-UHFFFAOYSA-N
XLogP2.57
TPSA95.43 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-N-(4-methoxyphenyl)-2,1,3-benzoxadiazole-4,7-diamine
CID 43518501
4-(3,5-dimethoxyphenoxy)-2,1,3-benzoxadiazol-7-amine
CID 43589811
2-N-(2,5-dimethoxyphenyl)-6-methoxypyridine-2,3-diamine
CID 115320342
5-N-(2,5-dimethoxyphenyl)-6-N-(2-fluorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 2869541
4-amino-N-(2,5-dimethoxyphenyl)-1,2,5-oxadiazole-3-carboxamide
CID 62688302
2,5-dimethoxy-N-(4-methylphenyl)aniline
CID 171920056
2-[[7-(2,5-dimethoxyanilino)-4-nitro-2,1,3-benzoxadiazol-5-yl]-methylamino]ethanol
CID 3716085
4-N,6-N-bis(2,4-dimethoxyphenyl)pyrimidine-4,5,6-triamine
CID 19142820
6-N-(2,4-dichlorophenyl)-4-N-(2,5-dimethoxyphenyl)pyrimidine-4,5,6-triamine
CID 19142724
2-N-(2,5-dimethoxyphenyl)pyrazine-2,5-diamine
CID 80653257
4-methoxy-2-N-(4-methoxyphenyl)benzene-1,2-diamine
CID 69243063
4-N-(5-bromo-2-fluorophenyl)-2,1,3-benzoxadiazole-4,7-diamine
CID 43555542

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,5-dimethoxyphenyl)-2,1,3-benzoxadiazole-4,7-diamine?
The IUPAC name of 4-N-(2,5-dimethoxyphenyl)-2,1,3-benzoxadiazole-4,7-diamine (CID 43518537) is 4-N-(2,5-dimethoxyphenyl)-2,1,3-benzoxadiazole-4,7-diamine.
What is the SMILES notation for 4-N-(2,5-dimethoxyphenyl)-2,1,3-benzoxadiazole-4,7-diamine?
The canonical SMILES for 4-N-(2,5-dimethoxyphenyl)-2,1,3-benzoxadiazole-4,7-diamine is COc1ccc(OC)c(Nc2ccc(N)c3nonc23)c1.
What is the InChIKey of 4-N-(2,5-dimethoxyphenyl)-2,1,3-benzoxadiazole-4,7-diamine?
The InChIKey is RKDVVYWXFYDAFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O3/c1-19-8-3-6-12(20-2)11(7-8)16-10-5-4-9(15)13-14(10)18-21-17-13/h3-7,16H,15H2,1-2H3.
What are the key properties of 4-N-(2,5-dimethoxyphenyl)-2,1,3-benzoxadiazole-4,7-diamine?
4-N-(2,5-dimethoxyphenyl)-2,1,3-benzoxadiazole-4,7-diamine has a molecular weight of 286.29 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,5-dimethoxyphenyl)-2,1,3-benzoxadiazole-4,7-diamine is sourced from PubChem (CID 43518537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).