5-(2-aminoanilino)-3-methyl-1,3-benzoxazol-2-one

C14H13N3O2 — CID 115124313

IUPAC5-(2-aminoanilino)-3-methyl-1,3-benzoxazol-2-one
SMILESCn1c(=O)oc2ccc(Nc3ccccc3N)cc21
InChIInChI=1S/C14H13N3O2/c1-17-12-8-9(6-7-13(12)19-14(17)18)16-11-5-3-2-4-10(11)15/h2-8,16H,15H2,1H3
InChIKeyPIKPAXGFQAOSCV-UHFFFAOYSA-N
MW255.28 g/mol
LogP2.46
Rot. Bonds2

About 5-(2-aminoanilino)-3-methyl-1,3-benzoxazol-2-one

5-(2-aminoanilino)-3-methyl-1,3-benzoxazol-2-one (PubChem CID 115124313) has the molecular formula C14H13N3O2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 5-(2-aminoanilino)-3-methyl-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name5-(2-aminoanilino)-3-methyl-1,3-benzoxazol-2-one
PubChem CID115124313
Molecular FormulaC14H13N3O2
Molecular Weight255.28 g/mol
Exact Mass255.10
IUPAC Name5-(2-aminoanilino)-3-methyl-1,3-benzoxazol-2-one
SMILESCn1c(=O)oc2ccc(Nc3ccccc3N)cc21
InChIInChI=1S/C14H13N3O2/c1-17-12-8-9(6-7-13(12)19-14(17)18)16-11-5-3-2-4-10(11)15/h2-8,16H,15H2,1H3
InChIKeyPIKPAXGFQAOSCV-UHFFFAOYSA-N
XLogP2.46
TPSA73.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 52.46
H-Bond Donors ≤ 52
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 5-(2-aminoanilino)-3-methyl-1,3-benzoxazol-2-one?
The IUPAC name of 5-(2-aminoanilino)-3-methyl-1,3-benzoxazol-2-one (CID 115124313) is 5-(2-aminoanilino)-3-methyl-1,3-benzoxazol-2-one.
What is the SMILES notation for 5-(2-aminoanilino)-3-methyl-1,3-benzoxazol-2-one?
The canonical SMILES for 5-(2-aminoanilino)-3-methyl-1,3-benzoxazol-2-one is Cn1c(=O)oc2ccc(Nc3ccccc3N)cc21.
What is the InChIKey of 5-(2-aminoanilino)-3-methyl-1,3-benzoxazol-2-one?
The InChIKey is PIKPAXGFQAOSCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2/c1-17-12-8-9(6-7-13(12)19-14(17)18)16-11-5-3-2-4-10(11)15/h2-8,16H,15H2,1H3.
What are the key properties of 5-(2-aminoanilino)-3-methyl-1,3-benzoxazol-2-one?
5-(2-aminoanilino)-3-methyl-1,3-benzoxazol-2-one has a molecular weight of 255.28 g/mol, XLogP of 2.46, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoanilino)-3-methyl-1,3-benzoxazol-2-one is sourced from PubChem (CID 115124313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).