3-cyclopentyl-1-methyl-2-(1,3-oxazol-5-yl)indole-6-carboxylic acid

C18H18N2O3 — CID 514273

IUPAC3-cyclopentyl-1-methyl-2-(1,3-oxazol-5-yl)indole-6-carboxylic acid
SMILESCn1c(-c2cnco2)c(C2CCCC2)c2ccc(C(=O)O)cc21
InChIInChI=1S/C18H18N2O3/c1-20-14-8-12(18(21)22)6-7-13(14)16(11-4-2-3-5-11)17(20)15-9-19-10-23-15/h6-11H,2-5H2,1H3,(H,21,22)
InChIKeyBVTBWYPROFRAGD-UHFFFAOYSA-N
MW310.35 g/mol
LogP4.19
Rot. Bonds3

About 3-cyclopentyl-1-methyl-2-(1,3-oxazol-5-yl)indole-6-carboxylic acid

3-cyclopentyl-1-methyl-2-(1,3-oxazol-5-yl)indole-6-carboxylic acid (PubChem CID 514273) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is 3-cyclopentyl-1-methyl-2-(1,3-oxazol-5-yl)indole-6-carboxylic acid.

Molecular Properties

Compound Name3-cyclopentyl-1-methyl-2-(1,3-oxazol-5-yl)indole-6-carboxylic acid
PubChem CID514273
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Name3-cyclopentyl-1-methyl-2-(1,3-oxazol-5-yl)indole-6-carboxylic acid
SMILESCn1c(-c2cnco2)c(C2CCCC2)c2ccc(C(=O)O)cc21
InChIInChI=1S/C18H18N2O3/c1-20-14-8-12(18(21)22)6-7-13(14)16(11-4-2-3-5-11)17(20)15-9-19-10-23-15/h6-11H,2-5H2,1H3,(H,21,22)
InChIKeyBVTBWYPROFRAGD-UHFFFAOYSA-N
XLogP4.19
TPSA68.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-1-methyl-2-(1,3-oxazol-5-yl)indole-6-carboxylic acid?
The IUPAC name of 3-cyclopentyl-1-methyl-2-(1,3-oxazol-5-yl)indole-6-carboxylic acid (CID 514273) is 3-cyclopentyl-1-methyl-2-(1,3-oxazol-5-yl)indole-6-carboxylic acid.
What is the SMILES notation for 3-cyclopentyl-1-methyl-2-(1,3-oxazol-5-yl)indole-6-carboxylic acid?
The canonical SMILES for 3-cyclopentyl-1-methyl-2-(1,3-oxazol-5-yl)indole-6-carboxylic acid is Cn1c(-c2cnco2)c(C2CCCC2)c2ccc(C(=O)O)cc21.
What is the InChIKey of 3-cyclopentyl-1-methyl-2-(1,3-oxazol-5-yl)indole-6-carboxylic acid?
The InChIKey is BVTBWYPROFRAGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-20-14-8-12(18(21)22)6-7-13(14)16(11-4-2-3-5-11)17(20)15-9-19-10-23-15/h6-11H,2-5H2,1H3,(H,21,22).
What are the key properties of 3-cyclopentyl-1-methyl-2-(1,3-oxazol-5-yl)indole-6-carboxylic acid?
3-cyclopentyl-1-methyl-2-(1,3-oxazol-5-yl)indole-6-carboxylic acid has a molecular weight of 310.35 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-1-methyl-2-(1,3-oxazol-5-yl)indole-6-carboxylic acid is sourced from PubChem (CID 514273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).