7-(2-aminophenyl)-1-(1H-indol-2-yl)-2,1-benzoxazol-3-one

C21H15N3O2 — CID 70406389

IUPAC7-(2-aminophenyl)-1-(1H-indol-2-yl)-2,1-benzoxazol-3-one
SMILESNc1ccccc1-c1cccc2c(=O)on(-c3cc4ccccc4[nH]3)c12
InChIInChI=1S/C21H15N3O2/c22-17-10-3-2-7-14(17)15-8-5-9-16-20(15)24(26-21(16)25)19-12-13-6-1-4-11-18(13)23-19/h1-12,23H,22H2
InChIKeyKYMWAAKQVBPUMZ-UHFFFAOYSA-N
MW341.37 g/mol
LogP4.31
Rot. Bonds2

About 7-(2-aminophenyl)-1-(1H-indol-2-yl)-2,1-benzoxazol-3-one

7-(2-aminophenyl)-1-(1H-indol-2-yl)-2,1-benzoxazol-3-one (PubChem CID 70406389) has the molecular formula C21H15N3O2 and a molecular weight of 341.37 g/mol. Its IUPAC name is 7-(2-aminophenyl)-1-(1H-indol-2-yl)-2,1-benzoxazol-3-one.

Molecular Properties

Compound Name7-(2-aminophenyl)-1-(1H-indol-2-yl)-2,1-benzoxazol-3-one
PubChem CID70406389
Molecular FormulaC21H15N3O2
Molecular Weight341.37 g/mol
Exact Mass341.12
IUPAC Name7-(2-aminophenyl)-1-(1H-indol-2-yl)-2,1-benzoxazol-3-one
SMILESNc1ccccc1-c1cccc2c(=O)on(-c3cc4ccccc4[nH]3)c12
InChIInChI=1S/C21H15N3O2/c22-17-10-3-2-7-14(17)15-8-5-9-16-20(15)24(26-21(16)25)19-12-13-6-1-4-11-18(13)23-19/h1-12,23H,22H2
InChIKeyKYMWAAKQVBPUMZ-UHFFFAOYSA-N
XLogP4.31
TPSA76.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-(2-aminophenyl)-1-(1H-indol-2-yl)-2,1-benzoxazol-3-one?
The IUPAC name of 7-(2-aminophenyl)-1-(1H-indol-2-yl)-2,1-benzoxazol-3-one (CID 70406389) is 7-(2-aminophenyl)-1-(1H-indol-2-yl)-2,1-benzoxazol-3-one.
What is the SMILES notation for 7-(2-aminophenyl)-1-(1H-indol-2-yl)-2,1-benzoxazol-3-one?
The canonical SMILES for 7-(2-aminophenyl)-1-(1H-indol-2-yl)-2,1-benzoxazol-3-one is Nc1ccccc1-c1cccc2c(=O)on(-c3cc4ccccc4[nH]3)c12.
What is the InChIKey of 7-(2-aminophenyl)-1-(1H-indol-2-yl)-2,1-benzoxazol-3-one?
The InChIKey is KYMWAAKQVBPUMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N3O2/c22-17-10-3-2-7-14(17)15-8-5-9-16-20(15)24(26-21(16)25)19-12-13-6-1-4-11-18(13)23-19/h1-12,23H,22H2.
What are the key properties of 7-(2-aminophenyl)-1-(1H-indol-2-yl)-2,1-benzoxazol-3-one?
7-(2-aminophenyl)-1-(1H-indol-2-yl)-2,1-benzoxazol-3-one has a molecular weight of 341.37 g/mol, XLogP of 4.31, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-aminophenyl)-1-(1H-indol-2-yl)-2,1-benzoxazol-3-one is sourced from PubChem (CID 70406389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).