ethyl 2-tert-butyl-4-(1H-indol-3-ylmethyl)-5-oxo-1,3-oxazolidine-3-carboxylate

C19H24N2O4 — CID 15220945

IUPACethyl 2-tert-butyl-4-(1H-indol-3-ylmethyl)-5-oxo-1,3-oxazolidine-3-carboxylate
SMILESCCOC(=O)N1C(Cc2c[nH]c3ccccc23)C(=O)OC1C(C)(C)C
InChIInChI=1S/C19H24N2O4/c1-5-24-18(23)21-15(16(22)25-17(21)19(2,3)4)10-12-11-20-14-9-7-6-8-13(12)14/h6-9,11,15,17,20H,5,10H2,1-4H3
InChIKeyOVWPQOZZANXDAA-UHFFFAOYSA-N
MW344.41 g/mol
LogP3.47
Rot. Bonds3

About ethyl 2-tert-butyl-4-(1H-indol-3-ylmethyl)-5-oxo-1,3-oxazolidine-3-carboxylate

ethyl 2-tert-butyl-4-(1H-indol-3-ylmethyl)-5-oxo-1,3-oxazolidine-3-carboxylate (PubChem CID 15220945) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is ethyl 2-tert-butyl-4-(1H-indol-3-ylmethyl)-5-oxo-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-tert-butyl-4-(1H-indol-3-ylmethyl)-5-oxo-1,3-oxazolidine-3-carboxylate
PubChem CID15220945
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC Nameethyl 2-tert-butyl-4-(1H-indol-3-ylmethyl)-5-oxo-1,3-oxazolidine-3-carboxylate
SMILESCCOC(=O)N1C(Cc2c[nH]c3ccccc23)C(=O)OC1C(C)(C)C
InChIInChI=1S/C19H24N2O4/c1-5-24-18(23)21-15(16(22)25-17(21)19(2,3)4)10-12-11-20-14-9-7-6-8-13(12)14/h6-9,11,15,17,20H,5,10H2,1-4H3
InChIKeyOVWPQOZZANXDAA-UHFFFAOYSA-N
XLogP3.47
TPSA71.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

CID 25209732
CID 25209732
diethyl 2-(1H-indol-3-ylmethyl)-2-methylpropanedioate
CID 12724509
(4R)-N-ethyl-4-(1H-indol-3-ylmethyl)-2,2-dimethyl-5-oxo-1,3-oxazolidine-3-carboxamide
CID 102060674
9H-fluoren-9-ylmethyl (4S)-4-(1H-indol-3-ylmethyl)-2,5-dioxo-1,3-oxazolidine-3-carboxylate
CID 165340462
diethyl 2-amino-2-(1H-indol-3-ylmethyl)propanedioate
CID 14315603
(3S,6S)-3,6-bis(1H-indol-3-ylmethyl)-1-methylpiperazine-2,5-dione
CID 132546652
ethyl 3-(1H-indol-3-ylmethylamino)-3-oxopropanoate
CID 115138557
ethyl (2S)-3-(1H-indol-3-yl)-2-methylpropanoate
CID 170617475
ethyl (2R)-2-amino-3-(1H-indol-3-yl)propanoate
CID 688583
N-(1-amino-2-methylpropan-2-yl)-2-(1H-indol-3-yl)acetamide
CID 55163528
1-O-ethyl 2-O-[3-(1H-indol-3-yl)-2-oxopropyl] oxalate
CID 10732157
ethyl 2-amino-3-(1H-indol-3-yl)propanoate chloride
CID 16637454

Frequently Asked Questions

What is the IUPAC name of ethyl 2-tert-butyl-4-(1H-indol-3-ylmethyl)-5-oxo-1,3-oxazolidine-3-carboxylate?
The IUPAC name of ethyl 2-tert-butyl-4-(1H-indol-3-ylmethyl)-5-oxo-1,3-oxazolidine-3-carboxylate (CID 15220945) is ethyl 2-tert-butyl-4-(1H-indol-3-ylmethyl)-5-oxo-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for ethyl 2-tert-butyl-4-(1H-indol-3-ylmethyl)-5-oxo-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for ethyl 2-tert-butyl-4-(1H-indol-3-ylmethyl)-5-oxo-1,3-oxazolidine-3-carboxylate is CCOC(=O)N1C(Cc2c[nH]c3ccccc23)C(=O)OC1C(C)(C)C.
What is the InChIKey of ethyl 2-tert-butyl-4-(1H-indol-3-ylmethyl)-5-oxo-1,3-oxazolidine-3-carboxylate?
The InChIKey is OVWPQOZZANXDAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4/c1-5-24-18(23)21-15(16(22)25-17(21)19(2,3)4)10-12-11-20-14-9-7-6-8-13(12)14/h6-9,11,15,17,20H,5,10H2,1-4H3.
What are the key properties of ethyl 2-tert-butyl-4-(1H-indol-3-ylmethyl)-5-oxo-1,3-oxazolidine-3-carboxylate?
ethyl 2-tert-butyl-4-(1H-indol-3-ylmethyl)-5-oxo-1,3-oxazolidine-3-carboxylate has a molecular weight of 344.41 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-tert-butyl-4-(1H-indol-3-ylmethyl)-5-oxo-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 15220945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).