2-(2,3-dihydroindol-1-ylmethyl)-1,3-oxazole-4-carboxylic acid

C13H12N2O3 — CID 82294084

IUPAC2-(2,3-dihydroindol-1-ylmethyl)-1,3-oxazole-4-carboxylic acid
SMILESO=C(O)c1coc(CN2CCc3ccccc32)n1
InChIInChI=1S/C13H12N2O3/c16-13(17)10-8-18-12(14-10)7-15-6-5-9-3-1-2-4-11(9)15/h1-4,8H,5-7H2,(H,16,17)
InChIKeyNBFGGOPMNXSVIF-UHFFFAOYSA-N
MW244.25 g/mol
LogP1.94
Rot. Bonds3

About 2-(2,3-dihydroindol-1-ylmethyl)-1,3-oxazole-4-carboxylic acid

2-(2,3-dihydroindol-1-ylmethyl)-1,3-oxazole-4-carboxylic acid (PubChem CID 82294084) has the molecular formula C13H12N2O3 and a molecular weight of 244.25 g/mol. Its IUPAC name is 2-(2,3-dihydroindol-1-ylmethyl)-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(2,3-dihydroindol-1-ylmethyl)-1,3-oxazole-4-carboxylic acid
PubChem CID82294084
Molecular FormulaC13H12N2O3
Molecular Weight244.25 g/mol
Exact Mass244.08
IUPAC Name2-(2,3-dihydroindol-1-ylmethyl)-1,3-oxazole-4-carboxylic acid
SMILESO=C(O)c1coc(CN2CCc3ccccc32)n1
InChIInChI=1S/C13H12N2O3/c16-13(17)10-8-18-12(14-10)7-15-6-5-9-3-1-2-4-11(9)15/h1-4,8H,5-7H2,(H,16,17)
InChIKeyNBFGGOPMNXSVIF-UHFFFAOYSA-N
XLogP1.94
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,3-dihydroindol-1-ylmethyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 82124117
2-(piperidin-1-ylmethyl)-1,3-oxazole-4-carboxylic acid
CID 68621530
methyl 2-(3,4-dihydro-2H-quinoxalin-1-ylmethyl)-1,3-oxazole-4-carboxylate
CID 167889241
(2-amino-1,3-oxazol-4-yl)-(2,3-dihydroindol-1-yl)methanone
CID 110857028
[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-oxazol-4-yl]-(1,2-oxazolidin-2-yl)methanone
CID 26394249
4-(2,3-dihydroindol-1-ylmethyl)-1H-pyrazole-5-carboxylic acid
CID 117216569
5-(3,4-dihydro-2H-quinolin-1-ylmethyl)furan-3-carboxylic acid
CID 55054315
1-(furan-2-ylmethyl)-2,3-dihydroindole
CID 14884168
2-(2,3-dihydroindol-1-yl)acetate
CID 6935608
2-[(4-phenylpyrazol-1-yl)methyl]-1,3-oxazole-4-carboxylic acid
CID 167894290
[2-[(4-benzylpiperazin-1-yl)methyl]-1,3-oxazol-4-yl]-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]methanone
CID 56722454
[4-(2,3-dihydroindol-1-ylmethyl)phenyl]-trimethylsilane
CID 103438257

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydroindol-1-ylmethyl)-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 2-(2,3-dihydroindol-1-ylmethyl)-1,3-oxazole-4-carboxylic acid (CID 82294084) is 2-(2,3-dihydroindol-1-ylmethyl)-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 2-(2,3-dihydroindol-1-ylmethyl)-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 2-(2,3-dihydroindol-1-ylmethyl)-1,3-oxazole-4-carboxylic acid is O=C(O)c1coc(CN2CCc3ccccc32)n1.
What is the InChIKey of 2-(2,3-dihydroindol-1-ylmethyl)-1,3-oxazole-4-carboxylic acid?
The InChIKey is NBFGGOPMNXSVIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3/c16-13(17)10-8-18-12(14-10)7-15-6-5-9-3-1-2-4-11(9)15/h1-4,8H,5-7H2,(H,16,17).
What are the key properties of 2-(2,3-dihydroindol-1-ylmethyl)-1,3-oxazole-4-carboxylic acid?
2-(2,3-dihydroindol-1-ylmethyl)-1,3-oxazole-4-carboxylic acid has a molecular weight of 244.25 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydroindol-1-ylmethyl)-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 82294084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).