5-[2-(1H-indol-3-yl)ethenyl]-3-methyl-4-nitro-1,2-oxazole

C14H11N3O3 — CID 136981416

IUPAC5-[2-(1H-indol-3-yl)ethenyl]-3-methyl-4-nitro-1,2-oxazole
SMILESCc1noc(C=Cc2c[nH]c3ccccc23)c1[N+](=O)[O-]
InChIInChI=1S/C14H11N3O3/c1-9-14(17(18)19)13(20-16-9)7-6-10-8-15-12-5-3-2-4-11(10)12/h2-8,15H,1H3
InChIKeyTYTUJIWHWSNPNS-UHFFFAOYSA-N
MW269.26 g/mol
LogP3.54
Rot. Bonds3

About 5-[2-(1H-indol-3-yl)ethenyl]-3-methyl-4-nitro-1,2-oxazole

5-[2-(1H-indol-3-yl)ethenyl]-3-methyl-4-nitro-1,2-oxazole (PubChem CID 136981416) has the molecular formula C14H11N3O3 and a molecular weight of 269.26 g/mol. Its IUPAC name is 5-[2-(1H-indol-3-yl)ethenyl]-3-methyl-4-nitro-1,2-oxazole.

Molecular Properties

Compound Name5-[2-(1H-indol-3-yl)ethenyl]-3-methyl-4-nitro-1,2-oxazole
PubChem CID136981416
Molecular FormulaC14H11N3O3
Molecular Weight269.26 g/mol
Exact Mass269.08
IUPAC Name5-[2-(1H-indol-3-yl)ethenyl]-3-methyl-4-nitro-1,2-oxazole
SMILESCc1noc(C=Cc2c[nH]c3ccccc23)c1[N+](=O)[O-]
InChIInChI=1S/C14H11N3O3/c1-9-14(17(18)19)13(20-16-9)7-6-10-8-15-12-5-3-2-4-11(10)12/h2-8,15H,1H3
InChIKeyTYTUJIWHWSNPNS-UHFFFAOYSA-N
XLogP3.54
TPSA84.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-[2-(1H-indol-3-yl)ethenyl]-3-methyl-4-nitro-1,2-oxazole 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

2-[2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenyl]benzoic acid
CID 5223947
5-[2-[1-[(4-chlorophenyl)methyl]indol-3-yl]ethenyl]-3-methyl-4-nitro-1,2-oxazole
CID 3944659
3-methyl-4-nitro-5-[(E)-2-pyridin-3-ylethenyl]-1,2-oxazole
CID 5303784
3-methyl-5-[2-(5-methylthiophen-2-yl)ethenyl]-4-nitro-1,2-oxazole
CID 71951834
N-(4-fluorophenyl)-2-[3-[(E)-2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenyl]indol-1-yl]acetamide
CID 17336739
2-[2-methoxy-6-[(Z)-2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenyl]phenoxy]acetate
CID 7247781
3-methyl-5-[(Z)-2-[4-(naphthalen-1-ylmethoxy)phenyl]ethenyl]-4-nitro-1,2-oxazole
CID 124550548
5-but-1-enyl-3-methyl-4-nitro-1,2-oxazole
CID 78118855
5-[2-(1H-indol-3-yl)-2-(4-nitrophenyl)ethyl]-3-methyl-4-nitro-1,2-oxazole
CID 15984566
2-[5-[2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenyl]furan-2-yl]benzoic acid
CID 2978582
4-[(Z)-2-(1H-indol-3-yl)ethenyl]quinoline
CID 54609523
5-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-3-methyl-4-nitro-1,2-oxazole
CID 102157887

Frequently Asked Questions

What is the IUPAC name of 5-[2-(1H-indol-3-yl)ethenyl]-3-methyl-4-nitro-1,2-oxazole?
The IUPAC name of 5-[2-(1H-indol-3-yl)ethenyl]-3-methyl-4-nitro-1,2-oxazole (CID 136981416) is 5-[2-(1H-indol-3-yl)ethenyl]-3-methyl-4-nitro-1,2-oxazole.
What is the SMILES notation for 5-[2-(1H-indol-3-yl)ethenyl]-3-methyl-4-nitro-1,2-oxazole?
The canonical SMILES for 5-[2-(1H-indol-3-yl)ethenyl]-3-methyl-4-nitro-1,2-oxazole is Cc1noc(C=Cc2c[nH]c3ccccc23)c1[N+](=O)[O-].
What is the InChIKey of 5-[2-(1H-indol-3-yl)ethenyl]-3-methyl-4-nitro-1,2-oxazole?
The InChIKey is TYTUJIWHWSNPNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O3/c1-9-14(17(18)19)13(20-16-9)7-6-10-8-15-12-5-3-2-4-11(10)12/h2-8,15H,1H3.
What are the key properties of 5-[2-(1H-indol-3-yl)ethenyl]-3-methyl-4-nitro-1,2-oxazole?
5-[2-(1H-indol-3-yl)ethenyl]-3-methyl-4-nitro-1,2-oxazole has a molecular weight of 269.26 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(1H-indol-3-yl)ethenyl]-3-methyl-4-nitro-1,2-oxazole is sourced from PubChem (CID 136981416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).