ethyl 1-[(2-phenyl-1,3-oxazol-4-yl)methyl]indole-2-carboxylate

C21H18N2O3 — CID 58307058

IUPACethyl 1-[(2-phenyl-1,3-oxazol-4-yl)methyl]indole-2-carboxylate
SMILESCCOC(=O)c1cc2ccccc2n1Cc1coc(-c2ccccc2)n1
InChIInChI=1S/C21H18N2O3/c1-2-25-21(24)19-12-16-10-6-7-11-18(16)23(19)13-17-14-26-20(22-17)15-8-4-3-5-9-15/h3-12,14H,2,13H2,1H3
InChIKeySFNDRELJXLPWES-UHFFFAOYSA-N
MW346.39 g/mol
LogP4.52
Rot. Bonds5

About ethyl 1-[(2-phenyl-1,3-oxazol-4-yl)methyl]indole-2-carboxylate

ethyl 1-[(2-phenyl-1,3-oxazol-4-yl)methyl]indole-2-carboxylate (PubChem CID 58307058) has the molecular formula C21H18N2O3 and a molecular weight of 346.39 g/mol. Its IUPAC name is ethyl 1-[(2-phenyl-1,3-oxazol-4-yl)methyl]indole-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(2-phenyl-1,3-oxazol-4-yl)methyl]indole-2-carboxylate
PubChem CID58307058
Molecular FormulaC21H18N2O3
Molecular Weight346.39 g/mol
Exact Mass346.13
IUPAC Nameethyl 1-[(2-phenyl-1,3-oxazol-4-yl)methyl]indole-2-carboxylate
SMILESCCOC(=O)c1cc2ccccc2n1Cc1coc(-c2ccccc2)n1
InChIInChI=1S/C21H18N2O3/c1-2-25-21(24)19-12-16-10-6-7-11-18(16)23(19)13-17-14-26-20(22-17)15-8-4-3-5-9-15/h3-12,14H,2,13H2,1H3
InChIKeySFNDRELJXLPWES-UHFFFAOYSA-N
XLogP4.52
TPSA57.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(2-phenyl-1,3-oxazol-4-yl)methyl]indole-2-carboxylate?
The IUPAC name of ethyl 1-[(2-phenyl-1,3-oxazol-4-yl)methyl]indole-2-carboxylate (CID 58307058) is ethyl 1-[(2-phenyl-1,3-oxazol-4-yl)methyl]indole-2-carboxylate.
What is the SMILES notation for ethyl 1-[(2-phenyl-1,3-oxazol-4-yl)methyl]indole-2-carboxylate?
The canonical SMILES for ethyl 1-[(2-phenyl-1,3-oxazol-4-yl)methyl]indole-2-carboxylate is CCOC(=O)c1cc2ccccc2n1Cc1coc(-c2ccccc2)n1.
What is the InChIKey of ethyl 1-[(2-phenyl-1,3-oxazol-4-yl)methyl]indole-2-carboxylate?
The InChIKey is SFNDRELJXLPWES-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O3/c1-2-25-21(24)19-12-16-10-6-7-11-18(16)23(19)13-17-14-26-20(22-17)15-8-4-3-5-9-15/h3-12,14H,2,13H2,1H3.
What are the key properties of ethyl 1-[(2-phenyl-1,3-oxazol-4-yl)methyl]indole-2-carboxylate?
ethyl 1-[(2-phenyl-1,3-oxazol-4-yl)methyl]indole-2-carboxylate has a molecular weight of 346.39 g/mol, XLogP of 4.52, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(2-phenyl-1,3-oxazol-4-yl)methyl]indole-2-carboxylate is sourced from PubChem (CID 58307058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).