1-[3-(3-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]indole-6-carboxylic acid

C20H13FN2O4 — CID 91186683

IUPAC1-[3-(3-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]indole-6-carboxylic acid
SMILESCc1onc(-c2cccc(F)c2)c1C(=O)n1ccc2ccc(C(=O)O)cc21
InChIInChI=1S/C20H13FN2O4/c1-11-17(18(22-27-11)13-3-2-4-15(21)9-13)19(24)23-8-7-12-5-6-14(20(25)26)10-16(12)23/h2-10H,1H3,(H,25,26)
InChIKeyFJNBEIJKSANSMV-UHFFFAOYSA-N
MW364.33 g/mol
LogP4.13
Rot. Bonds3

About 1-[3-(3-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]indole-6-carboxylic acid

1-[3-(3-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]indole-6-carboxylic acid (PubChem CID 91186683) has the molecular formula C20H13FN2O4 and a molecular weight of 364.33 g/mol. Its IUPAC name is 1-[3-(3-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]indole-6-carboxylic acid.

Molecular Properties

Compound Name1-[3-(3-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]indole-6-carboxylic acid
PubChem CID91186683
Molecular FormulaC20H13FN2O4
Molecular Weight364.33 g/mol
Exact Mass364.09
IUPAC Name1-[3-(3-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]indole-6-carboxylic acid
SMILESCc1onc(-c2cccc(F)c2)c1C(=O)n1ccc2ccc(C(=O)O)cc21
InChIInChI=1S/C20H13FN2O4/c1-11-17(18(22-27-11)13-3-2-4-15(21)9-13)19(24)23-8-7-12-5-6-14(20(25)26)10-16(12)23/h2-10H,1H3,(H,25,26)
InChIKeyFJNBEIJKSANSMV-UHFFFAOYSA-N
XLogP4.13
TPSA85.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.33
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]indole-6-carboxylic acid?
The IUPAC name of 1-[3-(3-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]indole-6-carboxylic acid (CID 91186683) is 1-[3-(3-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]indole-6-carboxylic acid.
What is the SMILES notation for 1-[3-(3-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]indole-6-carboxylic acid?
The canonical SMILES for 1-[3-(3-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]indole-6-carboxylic acid is Cc1onc(-c2cccc(F)c2)c1C(=O)n1ccc2ccc(C(=O)O)cc21.
What is the InChIKey of 1-[3-(3-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]indole-6-carboxylic acid?
The InChIKey is FJNBEIJKSANSMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13FN2O4/c1-11-17(18(22-27-11)13-3-2-4-15(21)9-13)19(24)23-8-7-12-5-6-14(20(25)26)10-16(12)23/h2-10H,1H3,(H,25,26).
What are the key properties of 1-[3-(3-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]indole-6-carboxylic acid?
1-[3-(3-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]indole-6-carboxylic acid has a molecular weight of 364.33 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]indole-6-carboxylic acid is sourced from PubChem (CID 91186683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).