N'-[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]-1H-indole-3-carbohydrazide

C18H14N4O4 — CID 27691465

IUPACN'-[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]-1H-indole-3-carbohydrazide
SMILESO=C(Cn1c(=O)oc2ccccc21)NNC(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C18H14N4O4/c23-16(10-22-14-7-3-4-8-15(14)26-18(22)25)20-21-17(24)12-9-19-13-6-2-1-5-11(12)13/h1-9,19H,10H2,(H,20,23)(H,21,24)
InChIKeyXEFPBIYFGVKRPF-UHFFFAOYSA-N
MW350.33 g/mol
LogP1.54
Rot. Bonds3

About N'-[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]-1H-indole-3-carbohydrazide

N'-[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]-1H-indole-3-carbohydrazide (PubChem CID 27691465) has the molecular formula C18H14N4O4 and a molecular weight of 350.33 g/mol. Its IUPAC name is N'-[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]-1H-indole-3-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]-1H-indole-3-carbohydrazide
PubChem CID27691465
Molecular FormulaC18H14N4O4
Molecular Weight350.33 g/mol
Exact Mass350.10
IUPAC NameN'-[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]-1H-indole-3-carbohydrazide
SMILESO=C(Cn1c(=O)oc2ccccc21)NNC(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C18H14N4O4/c23-16(10-22-14-7-3-4-8-15(14)26-18(22)25)20-21-17(24)12-9-19-13-6-2-1-5-11(12)13/h1-9,19H,10H2,(H,20,23)(H,21,24)
InChIKeyXEFPBIYFGVKRPF-UHFFFAOYSA-N
XLogP1.54
TPSA109.13 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.33
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N'-[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]-1H-indole-3-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-chloro-N'-[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]benzohydrazide
CID 7809144
N'-[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]cyclopentanecarbohydrazide
CID 75511657
N-[2-[2-(1H-indole-3-carbonyl)hydrazinyl]-2-oxoethyl]-2-phenylacetamide
CID 27692653
N'-pentanoyl-1H-indole-3-carbohydrazide
CID 134008164
N-[(4-chlorophenyl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 3346299
2-(1H-indol-3-yl)-N'-[2-(9-oxoacridin-10-yl)acetyl]acetohydrazide
CID 31860262
N'-acetyl-1H-indole-3-carbohydrazide
CID 4271892
2-(2-oxo-1,3-benzoxazol-3-yl)-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]acetamide
CID 55748229
2-(2-oxo-1,3-benzoxazol-3-yl)-N-propan-2-ylacetamide
CID 4051540
N-(2-methoxyethyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 3580508
N-(3-hydroxyphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 18886705
N'-[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]-1H-indole-3-carbohydrazide
CID 27021791

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]-1H-indole-3-carbohydrazide?
The IUPAC name of N'-[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]-1H-indole-3-carbohydrazide (CID 27691465) is N'-[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]-1H-indole-3-carbohydrazide.
What is the SMILES notation for N'-[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]-1H-indole-3-carbohydrazide?
The canonical SMILES for N'-[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]-1H-indole-3-carbohydrazide is O=C(Cn1c(=O)oc2ccccc21)NNC(=O)c1c[nH]c2ccccc12.
What is the InChIKey of N'-[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]-1H-indole-3-carbohydrazide?
The InChIKey is XEFPBIYFGVKRPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O4/c23-16(10-22-14-7-3-4-8-15(14)26-18(22)25)20-21-17(24)12-9-19-13-6-2-1-5-11(12)13/h1-9,19H,10H2,(H,20,23)(H,21,24).
What are the key properties of N'-[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]-1H-indole-3-carbohydrazide?
N'-[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]-1H-indole-3-carbohydrazide has a molecular weight of 350.33 g/mol, XLogP of 1.54, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]-1H-indole-3-carbohydrazide is sourced from PubChem (CID 27691465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).