ethyl 3-(2-amino-1,3-oxazol-4-yl)-1H-indole-2-carboxylate

C14H13N3O3 — CID 82220622

IUPACethyl 3-(2-amino-1,3-oxazol-4-yl)-1H-indole-2-carboxylate
SMILESCCOC(=O)c1[nH]c2ccccc2c1-c1coc(N)n1
InChIInChI=1S/C14H13N3O3/c1-2-19-13(18)12-11(10-7-20-14(15)17-10)8-5-3-4-6-9(8)16-12/h3-7,16H,2H2,1H3,(H2,15,17)
InChIKeyHRWFLFOXOYKSQT-UHFFFAOYSA-N
MW271.28 g/mol
LogP2.58
Rot. Bonds3

About ethyl 3-(2-amino-1,3-oxazol-4-yl)-1H-indole-2-carboxylate

ethyl 3-(2-amino-1,3-oxazol-4-yl)-1H-indole-2-carboxylate (PubChem CID 82220622) has the molecular formula C14H13N3O3 and a molecular weight of 271.28 g/mol. Its IUPAC name is ethyl 3-(2-amino-1,3-oxazol-4-yl)-1H-indole-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-(2-amino-1,3-oxazol-4-yl)-1H-indole-2-carboxylate
PubChem CID82220622
Molecular FormulaC14H13N3O3
Molecular Weight271.28 g/mol
Exact Mass271.10
IUPAC Nameethyl 3-(2-amino-1,3-oxazol-4-yl)-1H-indole-2-carboxylate
SMILESCCOC(=O)c1[nH]c2ccccc2c1-c1coc(N)n1
InChIInChI=1S/C14H13N3O3/c1-2-19-13(18)12-11(10-7-20-14(15)17-10)8-5-3-4-6-9(8)16-12/h3-7,16H,2H2,1H3,(H2,15,17)
InChIKeyHRWFLFOXOYKSQT-UHFFFAOYSA-N
XLogP2.58
TPSA94.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-propyl-1H-indol-3-yl)-1,3-oxazol-2-amine
CID 82220624
ethyl 3-(3-ethoxy-3-oxoprop-1-en-2-yl)-1H-indole-2-carboxylate
CID 13166911
ethyl 3-propan-2-yloxy-1H-indole-2-carboxylate
CID 67372347
ethyl 3-(2-ethoxy-2-oxoethyl)-1H-indole-2-carboxylate
CID 11821846
ethyl 3-(4-methoxyphenoxy)-1H-indole-2-carboxylate
CID 86224566
ethyl 2,5-dimethyl-4-(2-phenyl-1H-indol-3-yl)furan-3-carboxylate
CID 10406161
ethyl 2-acetyl-1H-indole-3-carboxylate
CID 71162213
ethyl 2-amino-1H-indole-3-carboxylate
CID 1476606
ethyl 3-(1,2-dihydroxyethyl)-1H-indole-2-carboxylate
CID 100944788
ethyl 3-(3-oxobutyl)-1H-indole-2-carboxylate
CID 11974884
ethyl 3-(1-ethoxyethylideneamino)-1H-indole-2-carboxylate
CID 11065638
2-(2-ethoxycarbonyl-1H-indol-3-yl)ethylazanium chloride
CID 16641200

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2-amino-1,3-oxazol-4-yl)-1H-indole-2-carboxylate?
The IUPAC name of ethyl 3-(2-amino-1,3-oxazol-4-yl)-1H-indole-2-carboxylate (CID 82220622) is ethyl 3-(2-amino-1,3-oxazol-4-yl)-1H-indole-2-carboxylate.
What is the SMILES notation for ethyl 3-(2-amino-1,3-oxazol-4-yl)-1H-indole-2-carboxylate?
The canonical SMILES for ethyl 3-(2-amino-1,3-oxazol-4-yl)-1H-indole-2-carboxylate is CCOC(=O)c1[nH]c2ccccc2c1-c1coc(N)n1.
What is the InChIKey of ethyl 3-(2-amino-1,3-oxazol-4-yl)-1H-indole-2-carboxylate?
The InChIKey is HRWFLFOXOYKSQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3/c1-2-19-13(18)12-11(10-7-20-14(15)17-10)8-5-3-4-6-9(8)16-12/h3-7,16H,2H2,1H3,(H2,15,17).
What are the key properties of ethyl 3-(2-amino-1,3-oxazol-4-yl)-1H-indole-2-carboxylate?
ethyl 3-(2-amino-1,3-oxazol-4-yl)-1H-indole-2-carboxylate has a molecular weight of 271.28 g/mol, XLogP of 2.58, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2-amino-1,3-oxazol-4-yl)-1H-indole-2-carboxylate is sourced from PubChem (CID 82220622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).