7-amino-3-[2-(1H-indol-5-yl)acetyl]-1,3-benzoxazol-2-one

C17H13N3O3 — CID 112522772

IUPAC7-amino-3-[2-(1H-indol-5-yl)acetyl]-1,3-benzoxazol-2-one
SMILESNc1cccc2c1oc(=O)n2C(=O)Cc1ccc2[nH]ccc2c1
InChIInChI=1S/C17H13N3O3/c18-12-2-1-3-14-16(12)23-17(22)20(14)15(21)9-10-4-5-13-11(8-10)6-7-19-13/h1-8,19H,9,18H2
InChIKeyUAWYQWZPYZGTMP-UHFFFAOYSA-N
MW307.31 g/mol
LogP2.54
Rot. Bonds2

About 7-amino-3-[2-(1H-indol-5-yl)acetyl]-1,3-benzoxazol-2-one

7-amino-3-[2-(1H-indol-5-yl)acetyl]-1,3-benzoxazol-2-one (PubChem CID 112522772) has the molecular formula C17H13N3O3 and a molecular weight of 307.31 g/mol. Its IUPAC name is 7-amino-3-[2-(1H-indol-5-yl)acetyl]-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name7-amino-3-[2-(1H-indol-5-yl)acetyl]-1,3-benzoxazol-2-one
PubChem CID112522772
Molecular FormulaC17H13N3O3
Molecular Weight307.31 g/mol
Exact Mass307.10
IUPAC Name7-amino-3-[2-(1H-indol-5-yl)acetyl]-1,3-benzoxazol-2-one
SMILESNc1cccc2c1oc(=O)n2C(=O)Cc1ccc2[nH]ccc2c1
InChIInChI=1S/C17H13N3O3/c18-12-2-1-3-14-16(12)23-17(22)20(14)15(21)9-10-4-5-13-11(8-10)6-7-19-13/h1-8,19H,9,18H2
InChIKeyUAWYQWZPYZGTMP-UHFFFAOYSA-N
XLogP2.54
TPSA94.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(3-aminoindol-1-yl)-2-(1H-indol-5-yl)ethanone
CID 112526956
2-(1H-indol-5-ylmethyl)-1,3,2-dioxazolidine-4,5-dione
CID 140663994
methyl 2-(1H-indol-5-yl)acetate
CID 43831379
2-(1H-indol-5-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 84577578
2-(1H-indol-5-yl)acetic acid;4-nitro-1H-indole
CID 70295344
1-(5-aminopyrazol-1-yl)-2-(1H-indol-6-yl)ethanone
CID 112524612
1-(2-bromophenyl)-2-(1H-indol-5-yl)ethanone
CID 158169595
3-(1H-indol-5-ylmethyl)benzoic acid
CID 53345393
methyl N-[2-[2-(7-amino-2-oxo-1,3-benzoxazol-3-yl)-2-oxoethyl]triazol-4-yl]carbamate
CID 112522812
(4-amino-2-methylindol-1-yl)-(1H-indol-6-yl)methanone
CID 112526463
ethyl 3-(1H-indol-5-yl)propanoate
CID 73357468
N-(2-hydroxypropyl)-2-(1H-indol-5-yl)acetamide
CID 84577469

Frequently Asked Questions

What is the IUPAC name of 7-amino-3-[2-(1H-indol-5-yl)acetyl]-1,3-benzoxazol-2-one?
The IUPAC name of 7-amino-3-[2-(1H-indol-5-yl)acetyl]-1,3-benzoxazol-2-one (CID 112522772) is 7-amino-3-[2-(1H-indol-5-yl)acetyl]-1,3-benzoxazol-2-one.
What is the SMILES notation for 7-amino-3-[2-(1H-indol-5-yl)acetyl]-1,3-benzoxazol-2-one?
The canonical SMILES for 7-amino-3-[2-(1H-indol-5-yl)acetyl]-1,3-benzoxazol-2-one is Nc1cccc2c1oc(=O)n2C(=O)Cc1ccc2[nH]ccc2c1.
What is the InChIKey of 7-amino-3-[2-(1H-indol-5-yl)acetyl]-1,3-benzoxazol-2-one?
The InChIKey is UAWYQWZPYZGTMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O3/c18-12-2-1-3-14-16(12)23-17(22)20(14)15(21)9-10-4-5-13-11(8-10)6-7-19-13/h1-8,19H,9,18H2.
What are the key properties of 7-amino-3-[2-(1H-indol-5-yl)acetyl]-1,3-benzoxazol-2-one?
7-amino-3-[2-(1H-indol-5-yl)acetyl]-1,3-benzoxazol-2-one has a molecular weight of 307.31 g/mol, XLogP of 2.54, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-3-[2-(1H-indol-5-yl)acetyl]-1,3-benzoxazol-2-one is sourced from PubChem (CID 112522772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).