5-(1-benzylindol-3-yl)-1,2-oxazole-3-carboxylic acid

C19H14N2O3 — CID 15958516

IUPAC5-(1-benzylindol-3-yl)-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)c1cc(-c2cn(Cc3ccccc3)c3ccccc23)on1
InChIInChI=1S/C19H14N2O3/c22-19(23)16-10-18(24-20-16)15-12-21(11-13-6-2-1-3-7-13)17-9-5-4-8-14(15)17/h1-10,12H,11H2,(H,22,23)
InChIKeyHDCGBDTUCWMBBX-UHFFFAOYSA-N
MW318.33 g/mol
LogP4.04
Rot. Bonds4

About 5-(1-benzylindol-3-yl)-1,2-oxazole-3-carboxylic acid

5-(1-benzylindol-3-yl)-1,2-oxazole-3-carboxylic acid (PubChem CID 15958516) has the molecular formula C19H14N2O3 and a molecular weight of 318.33 g/mol. Its IUPAC name is 5-(1-benzylindol-3-yl)-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(1-benzylindol-3-yl)-1,2-oxazole-3-carboxylic acid
PubChem CID15958516
Molecular FormulaC19H14N2O3
Molecular Weight318.33 g/mol
Exact Mass318.10
IUPAC Name5-(1-benzylindol-3-yl)-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)c1cc(-c2cn(Cc3ccccc3)c3ccccc23)on1
InChIInChI=1S/C19H14N2O3/c22-19(23)16-10-18(24-20-16)15-12-21(11-13-6-2-1-3-7-13)17-9-5-4-8-14(15)17/h1-10,12H,11H2,(H,22,23)
InChIKeyHDCGBDTUCWMBBX-UHFFFAOYSA-N
XLogP4.04
TPSA68.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(1-ethylindol-3-yl)-1,2-oxazole-3-carboxylic acid
CID 15958515
1-[(4-chlorophenyl)methyl]-5-[1-[(4-chlorophenyl)methyl]indol-3-yl]pyrazole-3-carboxylic acid
CID 141254377
1-benzyl-3-(2,6-difluoro-4-pyridinyl)indole
CID 66552989
methyl 1-benzyl-5-(1-benzylindol-3-yl)pyrazole-3-carboxylate
CID 141254418
sodium 1-benzyl-3-(1-benzylindol-3-yl)pyrazole-5-carboxylate
CID 141254414
5-benzyl-2-methylpyrazolo[4,3-c]quinolin-3-one
CID 12016985
2-(1-benzyl-4-oxoquinolin-3-yl)acetic acid
CID 45275194
(1-benzylindol-3-yl)-(4-methylpiperazin-1-yl)methanone
CID 10735404
1-benzyl-3-(3,5-dimethoxyphenyl)indole
CID 66552988
2-[6-[2-(1-benzylindol-3-yl)-1,3-oxazol-5-yl]naphthalen-2-yl]oxyacetic acid
CID 11634262
1-(1-benzylindole-3-carbonyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid
CID 156786470
1-benzyl-3-(6-methylsulfanyl-3-pyridinyl)indole
CID 70702189

Frequently Asked Questions

What is the IUPAC name of 5-(1-benzylindol-3-yl)-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-(1-benzylindol-3-yl)-1,2-oxazole-3-carboxylic acid (CID 15958516) is 5-(1-benzylindol-3-yl)-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-(1-benzylindol-3-yl)-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-(1-benzylindol-3-yl)-1,2-oxazole-3-carboxylic acid is O=C(O)c1cc(-c2cn(Cc3ccccc3)c3ccccc23)on1.
What is the InChIKey of 5-(1-benzylindol-3-yl)-1,2-oxazole-3-carboxylic acid?
The InChIKey is HDCGBDTUCWMBBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O3/c22-19(23)16-10-18(24-20-16)15-12-21(11-13-6-2-1-3-7-13)17-9-5-4-8-14(15)17/h1-10,12H,11H2,(H,22,23).
What are the key properties of 5-(1-benzylindol-3-yl)-1,2-oxazole-3-carboxylic acid?
5-(1-benzylindol-3-yl)-1,2-oxazole-3-carboxylic acid has a molecular weight of 318.33 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-benzylindol-3-yl)-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 15958516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).