[5-(1H-indol-3-yl)-2-methylphenyl] 1,3-oxazole-4-carboxylate

C19H14N2O3 — CID 175548904

IUPAC[5-(1H-indol-3-yl)-2-methylphenyl] 1,3-oxazole-4-carboxylate
SMILESCc1ccc(-c2c[nH]c3ccccc23)cc1OC(=O)c1cocn1
InChIInChI=1S/C19H14N2O3/c1-12-6-7-13(15-9-20-16-5-3-2-4-14(15)16)8-18(12)24-19(22)17-10-23-11-21-17/h2-11,20H,1H3
InChIKeyUXBJQFAUVCXOLM-UHFFFAOYSA-N
MW318.33 g/mol
LogP4.35
Rot. Bonds3

About [5-(1H-indol-3-yl)-2-methylphenyl] 1,3-oxazole-4-carboxylate

[5-(1H-indol-3-yl)-2-methylphenyl] 1,3-oxazole-4-carboxylate (PubChem CID 175548904) has the molecular formula C19H14N2O3 and a molecular weight of 318.33 g/mol. Its IUPAC name is [5-(1H-indol-3-yl)-2-methylphenyl] 1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Name[5-(1H-indol-3-yl)-2-methylphenyl] 1,3-oxazole-4-carboxylate
PubChem CID175548904
Molecular FormulaC19H14N2O3
Molecular Weight318.33 g/mol
Exact Mass318.10
IUPAC Name[5-(1H-indol-3-yl)-2-methylphenyl] 1,3-oxazole-4-carboxylate
SMILESCc1ccc(-c2c[nH]c3ccccc23)cc1OC(=O)c1cocn1
InChIInChI=1S/C19H14N2O3/c1-12-6-7-13(15-9-20-16-5-3-2-4-14(15)16)8-18(12)24-19(22)17-10-23-11-21-17/h2-11,20H,1H3
InChIKeyUXBJQFAUVCXOLM-UHFFFAOYSA-N
XLogP4.35
TPSA68.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(1H-indol-3-yl)-1,3-oxazole
CID 45276627
1-[2,7-bis(1H-indol-3-yl)carbazol-9-yl]ethanone
CID 174779450
3-[4-(1H-indol-3-yl)phenyl]-1H-indole
CID 175007681
N-[3-[4-(1H-indol-3-yl)-2-pyridinyl]propyl]acetamide
CID 131952895
3-(3,5-dimethylphenyl)-1H-indole
CID 169241956
ethyl 3-[4-(1H-indol-3-yl)phenyl]propanoate
CID 174402402
methyl 2-(1H-indol-3-yl)pyridine-3-carboxylate
CID 15287367
1H-indol-3-yl-(3-methoxy-4-methylphenyl)methanone
CID 43339248
7-(1H-indol-3-yl)-2-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine
CID 162667633
[2-methyl-5-(6-methyl-1H-indol-3-yl)-3-pyridinyl] acetate
CID 144902236
methyl acetate;3-methyl-1H-indole
CID 90804638
4-[4-(1H-indol-3-yl)-1,3-oxazol-2-yl]-2-methoxyphenol
CID 135883364

Frequently Asked Questions

What is the IUPAC name of [5-(1H-indol-3-yl)-2-methylphenyl] 1,3-oxazole-4-carboxylate?
The IUPAC name of [5-(1H-indol-3-yl)-2-methylphenyl] 1,3-oxazole-4-carboxylate (CID 175548904) is [5-(1H-indol-3-yl)-2-methylphenyl] 1,3-oxazole-4-carboxylate.
What is the SMILES notation for [5-(1H-indol-3-yl)-2-methylphenyl] 1,3-oxazole-4-carboxylate?
The canonical SMILES for [5-(1H-indol-3-yl)-2-methylphenyl] 1,3-oxazole-4-carboxylate is Cc1ccc(-c2c[nH]c3ccccc23)cc1OC(=O)c1cocn1.
What is the InChIKey of [5-(1H-indol-3-yl)-2-methylphenyl] 1,3-oxazole-4-carboxylate?
The InChIKey is UXBJQFAUVCXOLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O3/c1-12-6-7-13(15-9-20-16-5-3-2-4-14(15)16)8-18(12)24-19(22)17-10-23-11-21-17/h2-11,20H,1H3.
What are the key properties of [5-(1H-indol-3-yl)-2-methylphenyl] 1,3-oxazole-4-carboxylate?
[5-(1H-indol-3-yl)-2-methylphenyl] 1,3-oxazole-4-carboxylate has a molecular weight of 318.33 g/mol, XLogP of 4.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(1H-indol-3-yl)-2-methylphenyl] 1,3-oxazole-4-carboxylate is sourced from PubChem (CID 175548904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).