ethyl 5-(3-cyano-1-propan-2-ylindol-5-yl)-1,2-oxazole-3-carboxylate

C18H17N3O3 — CID 175428963

IUPACethyl 5-(3-cyano-1-propan-2-ylindol-5-yl)-1,2-oxazole-3-carboxylate
SMILESCCOC(=O)c1cc(-c2ccc3c(c2)c(C#N)cn3C(C)C)on1
InChIInChI=1S/C18H17N3O3/c1-4-23-18(22)15-8-17(24-20-15)12-5-6-16-14(7-12)13(9-19)10-21(16)11(2)3/h5-8,10-11H,4H2,1-3H3
InChIKeyYEHLLQWMCOAQKF-UHFFFAOYSA-N
MW323.35 g/mol
LogP3.93
Rot. Bonds4

About ethyl 5-(3-cyano-1-propan-2-ylindol-5-yl)-1,2-oxazole-3-carboxylate

ethyl 5-(3-cyano-1-propan-2-ylindol-5-yl)-1,2-oxazole-3-carboxylate (PubChem CID 175428963) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is ethyl 5-(3-cyano-1-propan-2-ylindol-5-yl)-1,2-oxazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-(3-cyano-1-propan-2-ylindol-5-yl)-1,2-oxazole-3-carboxylate
PubChem CID175428963
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC Nameethyl 5-(3-cyano-1-propan-2-ylindol-5-yl)-1,2-oxazole-3-carboxylate
SMILESCCOC(=O)c1cc(-c2ccc3c(c2)c(C#N)cn3C(C)C)on1
InChIInChI=1S/C18H17N3O3/c1-4-23-18(22)15-8-17(24-20-15)12-5-6-16-14(7-12)13(9-19)10-21(16)11(2)3/h5-8,10-11H,4H2,1-3H3
InChIKeyYEHLLQWMCOAQKF-UHFFFAOYSA-N
XLogP3.93
TPSA81.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-(3-cyano-1-propan-2-ylindol-5-yl)-1,2-oxazole-3-carboxylate?
The IUPAC name of ethyl 5-(3-cyano-1-propan-2-ylindol-5-yl)-1,2-oxazole-3-carboxylate (CID 175428963) is ethyl 5-(3-cyano-1-propan-2-ylindol-5-yl)-1,2-oxazole-3-carboxylate.
What is the SMILES notation for ethyl 5-(3-cyano-1-propan-2-ylindol-5-yl)-1,2-oxazole-3-carboxylate?
The canonical SMILES for ethyl 5-(3-cyano-1-propan-2-ylindol-5-yl)-1,2-oxazole-3-carboxylate is CCOC(=O)c1cc(-c2ccc3c(c2)c(C#N)cn3C(C)C)on1.
What is the InChIKey of ethyl 5-(3-cyano-1-propan-2-ylindol-5-yl)-1,2-oxazole-3-carboxylate?
The InChIKey is YEHLLQWMCOAQKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c1-4-23-18(22)15-8-17(24-20-15)12-5-6-16-14(7-12)13(9-19)10-21(16)11(2)3/h5-8,10-11H,4H2,1-3H3.
What are the key properties of ethyl 5-(3-cyano-1-propan-2-ylindol-5-yl)-1,2-oxazole-3-carboxylate?
ethyl 5-(3-cyano-1-propan-2-ylindol-5-yl)-1,2-oxazole-3-carboxylate has a molecular weight of 323.35 g/mol, XLogP of 3.93, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(3-cyano-1-propan-2-ylindol-5-yl)-1,2-oxazole-3-carboxylate is sourced from PubChem (CID 175428963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).