ethyl 2-[(1R)-1-amino-2-(1H-indol-3-yl)ethyl]-5-ethyl-1,3-oxazole-4-carboxylate

C18H21N3O3 — CID 10544189

IUPACethyl 2-[(1R)-1-amino-2-(1H-indol-3-yl)ethyl]-5-ethyl-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1nc([C@H](N)Cc2c[nH]c3ccccc23)oc1CC
InChIInChI=1S/C18H21N3O3/c1-3-15-16(18(22)23-4-2)21-17(24-15)13(19)9-11-10-20-14-8-6-5-7-12(11)14/h5-8,10,13,20H,3-4,9,19H2,1-2H3/t13-/m1/s1
InChIKeyPAOYGRNMNZEDFE-CYBMUJFWSA-N
MW327.38 g/mol
LogP3.14
Rot. Bonds6

About ethyl 2-[(1R)-1-amino-2-(1H-indol-3-yl)ethyl]-5-ethyl-1,3-oxazole-4-carboxylate

ethyl 2-[(1R)-1-amino-2-(1H-indol-3-yl)ethyl]-5-ethyl-1,3-oxazole-4-carboxylate (PubChem CID 10544189) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is ethyl 2-[(1R)-1-amino-2-(1H-indol-3-yl)ethyl]-5-ethyl-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(1R)-1-amino-2-(1H-indol-3-yl)ethyl]-5-ethyl-1,3-oxazole-4-carboxylate
PubChem CID10544189
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Nameethyl 2-[(1R)-1-amino-2-(1H-indol-3-yl)ethyl]-5-ethyl-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1nc([C@H](N)Cc2c[nH]c3ccccc23)oc1CC
InChIInChI=1S/C18H21N3O3/c1-3-15-16(18(22)23-4-2)21-17(24-15)13(19)9-11-10-20-14-8-6-5-7-12(11)14/h5-8,10,13,20H,3-4,9,19H2,1-2H3/t13-/m1/s1
InChIKeyPAOYGRNMNZEDFE-CYBMUJFWSA-N
XLogP3.14
TPSA94.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[(1R)-1-amino-2-(1H-indol-3-yl)ethyl]-5-propan-2-yl-1,3-thiazole-4-carboxylate
CID 10570328
ethyl 2-[(1R)-1-amino-2-(1H-indol-3-yl)ethyl]-5-phenyl-1,3-thiazole-4-carboxylate
CID 10548492
5-[(1S)-1-amino-2-(1H-indol-3-yl)ethyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide
CID 102790745
ethyl (2R)-2-amino-3-(1H-indol-3-yl)propanoate
CID 688583
ethyl 2-amino-3-(1H-indol-3-yl)propanoate chloride
CID 16637454
(1S)-2-(1H-indol-3-yl)-1-(4-methyl-1,3-oxazol-2-yl)ethanamine
CID 82387349
ethyl (2S)-3-(1H-indol-3-yl)-2-methylpropanoate
CID 170617475
5-[(1S)-1-amino-2-(1H-indol-3-yl)ethyl]-1,2,4-oxadiazol-3-one
CID 82385854
ethyl 2-[(1R)-2-(1H-indol-3-yl)-1-[[(2S)-4-methyl-2-[(2-phenylacetyl)amino]pentanoyl]amino]ethyl]-5-methyl-1,3-oxazole-4-carboxylate
CID 67778837
2-[1-amino-2-(1H-indol-3-yl)ethyl]-N-pentadecyl-1,3-oxazole-4-carboxamide
CID 3303836
trimethylsilyl 2-amino-3-(1H-indol-3-yl)propanoate
CID 85288956
ethyl 2-[(1R)-1-[[(2S)-2-amino-4-methylpentanoyl]-(azepane-1-carbonyl)amino]-2-(1H-indol-3-yl)ethyl]-5-methyl-1,3-oxazole-4-carboxylate
CID 67777652

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(1R)-1-amino-2-(1H-indol-3-yl)ethyl]-5-ethyl-1,3-oxazole-4-carboxylate?
The IUPAC name of ethyl 2-[(1R)-1-amino-2-(1H-indol-3-yl)ethyl]-5-ethyl-1,3-oxazole-4-carboxylate (CID 10544189) is ethyl 2-[(1R)-1-amino-2-(1H-indol-3-yl)ethyl]-5-ethyl-1,3-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 2-[(1R)-1-amino-2-(1H-indol-3-yl)ethyl]-5-ethyl-1,3-oxazole-4-carboxylate?
The canonical SMILES for ethyl 2-[(1R)-1-amino-2-(1H-indol-3-yl)ethyl]-5-ethyl-1,3-oxazole-4-carboxylate is CCOC(=O)c1nc([C@H](N)Cc2c[nH]c3ccccc23)oc1CC.
What is the InChIKey of ethyl 2-[(1R)-1-amino-2-(1H-indol-3-yl)ethyl]-5-ethyl-1,3-oxazole-4-carboxylate?
The InChIKey is PAOYGRNMNZEDFE-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-3-15-16(18(22)23-4-2)21-17(24-15)13(19)9-11-10-20-14-8-6-5-7-12(11)14/h5-8,10,13,20H,3-4,9,19H2,1-2H3/t13-/m1/s1.
What are the key properties of ethyl 2-[(1R)-1-amino-2-(1H-indol-3-yl)ethyl]-5-ethyl-1,3-oxazole-4-carboxylate?
ethyl 2-[(1R)-1-amino-2-(1H-indol-3-yl)ethyl]-5-ethyl-1,3-oxazole-4-carboxylate has a molecular weight of 327.38 g/mol, XLogP of 3.14, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(1R)-1-amino-2-(1H-indol-3-yl)ethyl]-5-ethyl-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 10544189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).