6-amino-5-[3-(dimethylamino)anilino]-3H-1,3-benzoxazol-2-one

C15H16N4O2 — CID 115425824

IUPAC6-amino-5-[3-(dimethylamino)anilino]-3H-1,3-benzoxazol-2-one
SMILESCN(C)c1cccc(Nc2cc3[nH]c(=O)oc3cc2N)c1
InChIInChI=1S/C15H16N4O2/c1-19(2)10-5-3-4-9(6-10)17-12-8-13-14(7-11(12)16)21-15(20)18-13/h3-8,17H,16H2,1-2H3,(H,18,20)
InChIKeyTWVRHHKQGFPQSA-UHFFFAOYSA-N
MW284.32 g/mol
LogP2.51
Rot. Bonds3

About 6-amino-5-[3-(dimethylamino)anilino]-3H-1,3-benzoxazol-2-one

6-amino-5-[3-(dimethylamino)anilino]-3H-1,3-benzoxazol-2-one (PubChem CID 115425824) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is 6-amino-5-[3-(dimethylamino)anilino]-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-amino-5-[3-(dimethylamino)anilino]-3H-1,3-benzoxazol-2-one
PubChem CID115425824
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC Name6-amino-5-[3-(dimethylamino)anilino]-3H-1,3-benzoxazol-2-one
SMILESCN(C)c1cccc(Nc2cc3[nH]c(=O)oc3cc2N)c1
InChIInChI=1S/C15H16N4O2/c1-19(2)10-5-3-4-9(6-10)17-12-8-13-14(7-11(12)16)21-15(20)18-13/h3-8,17H,16H2,1-2H3,(H,18,20)
InChIKeyTWVRHHKQGFPQSA-UHFFFAOYSA-N
XLogP2.51
TPSA87.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-amino-5-(3,4-difluoroanilino)-3H-1,3-benzoxazol-2-one
CID 115425107
6-amino-5-(3-fluoro-4-methylanilino)-3H-1,3-benzoxazol-2-one
CID 115425126
6-amino-5-(3-fluoro-5-methylanilino)-3H-1,3-benzoxazol-2-one
CID 115425745
6-amino-5-(3-bromo-5-methylanilino)-3H-1,3-benzoxazol-2-one
CID 107581836
6-amino-5-(4-ethoxyanilino)-3H-1,3-benzoxazol-2-one
CID 115425085
6-amino-5-[(1-methylpyrazol-3-yl)amino]-3H-1,3-benzoxazol-2-one
CID 115425770
6-[N-methyl-3-(methylamino)anilino]-3H-1,3-benzoxazol-2-one
CID 117041083
6-amino-5-(2,5-difluoroanilino)-3H-1,3-benzoxazol-2-one
CID 115425095
4-chloro-1-N-[3-(dimethylamino)phenyl]-5-fluorobenzene-1,2-diamine
CID 115376157
methyl 4-amino-3-[3-(dimethylamino)anilino]benzoate
CID 82776085
6-amino-5-(1-phenylethylamino)-3H-1,3-benzoxazol-2-one
CID 115425038
6-amino-5-(propylamino)-3H-1,3-benzoxazol-2-one
CID 115425024

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-[3-(dimethylamino)anilino]-3H-1,3-benzoxazol-2-one?
The IUPAC name of 6-amino-5-[3-(dimethylamino)anilino]-3H-1,3-benzoxazol-2-one (CID 115425824) is 6-amino-5-[3-(dimethylamino)anilino]-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-amino-5-[3-(dimethylamino)anilino]-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 6-amino-5-[3-(dimethylamino)anilino]-3H-1,3-benzoxazol-2-one is CN(C)c1cccc(Nc2cc3[nH]c(=O)oc3cc2N)c1.
What is the InChIKey of 6-amino-5-[3-(dimethylamino)anilino]-3H-1,3-benzoxazol-2-one?
The InChIKey is TWVRHHKQGFPQSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c1-19(2)10-5-3-4-9(6-10)17-12-8-13-14(7-11(12)16)21-15(20)18-13/h3-8,17H,16H2,1-2H3,(H,18,20).
What are the key properties of 6-amino-5-[3-(dimethylamino)anilino]-3H-1,3-benzoxazol-2-one?
6-amino-5-[3-(dimethylamino)anilino]-3H-1,3-benzoxazol-2-one has a molecular weight of 284.32 g/mol, XLogP of 2.51, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-[3-(dimethylamino)anilino]-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 115425824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).