3-(1H-indol-5-yl)-1-[[(2S)-oxolan-2-yl]methyl]-1-(2-phenoxyethyl)urea

C22H25N3O3 — CID 125163368

IUPAC3-(1H-indol-5-yl)-1-[[(2S)-oxolan-2-yl]methyl]-1-(2-phenoxyethyl)urea
SMILESO=C(Nc1ccc2[nH]ccc2c1)N(CCOc1ccccc1)C[C@@H]1CCCO1
InChIInChI=1S/C22H25N3O3/c26-22(24-18-8-9-21-17(15-18)10-11-23-21)25(16-20-7-4-13-27-20)12-14-28-19-5-2-1-3-6-19/h1-3,5-6,8-11,15,20,23H,4,7,12-14,16H2,(H,24,26)/t20-/m0/s1
InChIKeyQUFRQATUETYPMJ-FQEVSTJZSA-N
MW379.46 g/mol
LogP4.26
Rot. Bonds7

About 3-(1H-indol-5-yl)-1-[[(2S)-oxolan-2-yl]methyl]-1-(2-phenoxyethyl)urea

3-(1H-indol-5-yl)-1-[[(2S)-oxolan-2-yl]methyl]-1-(2-phenoxyethyl)urea (PubChem CID 125163368) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is 3-(1H-indol-5-yl)-1-[[(2S)-oxolan-2-yl]methyl]-1-(2-phenoxyethyl)urea.

Molecular Properties

Compound Name3-(1H-indol-5-yl)-1-[[(2S)-oxolan-2-yl]methyl]-1-(2-phenoxyethyl)urea
PubChem CID125163368
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC Name3-(1H-indol-5-yl)-1-[[(2S)-oxolan-2-yl]methyl]-1-(2-phenoxyethyl)urea
SMILESO=C(Nc1ccc2[nH]ccc2c1)N(CCOc1ccccc1)C[C@@H]1CCCO1
InChIInChI=1S/C22H25N3O3/c26-22(24-18-8-9-21-17(15-18)10-11-23-21)25(16-20-7-4-13-27-20)12-14-28-19-5-2-1-3-6-19/h1-3,5-6,8-11,15,20,23H,4,7,12-14,16H2,(H,24,26)/t20-/m0/s1
InChIKeyQUFRQATUETYPMJ-FQEVSTJZSA-N
XLogP4.26
TPSA66.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(1H-indol-5-yl)-1-[[(2S)-oxolan-2-yl]methyl]-1-(2-phenoxyethyl)urea with MolForge

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Related Compounds

3-(6-chloro-3-pyridinyl)-1-[[(2R)-oxolan-2-yl]methyl]-1-(2-phenoxyethyl)urea
CID 97444246
3-[(5-methyl-1H-imidazol-2-yl)methyl]-1-[[(2S)-oxolan-2-yl]methyl]-1-(2-phenoxyethyl)urea
CID 126428019
1-(2-cyanoethyl)-1-(oxolan-2-ylmethyl)-3-(4-phenylmethoxyphenyl)urea
CID 3759520
5-[2-(oxolan-2-yl)ethoxy]-1H-indole
CID 80643511
N-(oxolan-2-ylmethyl)-N-(2-phenoxyethyl)-2-(trifluoromethyl)benzamide
CID 131937852
2-ethyl-N-[[(2S)-oxolan-2-yl]methyl]-N-(2-phenoxyethyl)pyrimidine-5-carboxamide
CID 97204039
2-methoxy-4-methyl-N-(oxolan-2-ylmethyl)-N-(2-phenoxyethyl)benzamide
CID 131916616
1-[(2-hydroxyphenyl)methyl]-3-[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]-1-[[(2S)-oxolan-2-yl]methyl]urea
CID 95303946
3-(3-chlorophenyl)-1-[2-(dimethylamino)ethyl]-1-[[(2R)-oxolan-2-yl]methyl]urea
CID 52507120
[(2R)-oxiran-2-yl]methyl N-(1H-indol-5-yl)carbamate
CID 57343440
N-(oxolan-2-ylmethyl)-1H-indole-5-carboxamide
CID 63717299
1-[2-(dimethylamino)ethyl]-3-(4-methyl-2-oxo-1H-quinolin-7-yl)-1-[[(2R)-oxolan-2-yl]methyl]urea
CID 97451974

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-5-yl)-1-[[(2S)-oxolan-2-yl]methyl]-1-(2-phenoxyethyl)urea?
The IUPAC name of 3-(1H-indol-5-yl)-1-[[(2S)-oxolan-2-yl]methyl]-1-(2-phenoxyethyl)urea (CID 125163368) is 3-(1H-indol-5-yl)-1-[[(2S)-oxolan-2-yl]methyl]-1-(2-phenoxyethyl)urea.
What is the SMILES notation for 3-(1H-indol-5-yl)-1-[[(2S)-oxolan-2-yl]methyl]-1-(2-phenoxyethyl)urea?
The canonical SMILES for 3-(1H-indol-5-yl)-1-[[(2S)-oxolan-2-yl]methyl]-1-(2-phenoxyethyl)urea is O=C(Nc1ccc2[nH]ccc2c1)N(CCOc1ccccc1)C[C@@H]1CCCO1.
What is the InChIKey of 3-(1H-indol-5-yl)-1-[[(2S)-oxolan-2-yl]methyl]-1-(2-phenoxyethyl)urea?
The InChIKey is QUFRQATUETYPMJ-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H25N3O3/c26-22(24-18-8-9-21-17(15-18)10-11-23-21)25(16-20-7-4-13-27-20)12-14-28-19-5-2-1-3-6-19/h1-3,5-6,8-11,15,20,23H,4,7,12-14,16H2,(H,24,26)/t20-/m0/s1.
What are the key properties of 3-(1H-indol-5-yl)-1-[[(2S)-oxolan-2-yl]methyl]-1-(2-phenoxyethyl)urea?
3-(1H-indol-5-yl)-1-[[(2S)-oxolan-2-yl]methyl]-1-(2-phenoxyethyl)urea has a molecular weight of 379.46 g/mol, XLogP of 4.26, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-5-yl)-1-[[(2S)-oxolan-2-yl]methyl]-1-(2-phenoxyethyl)urea is sourced from PubChem (CID 125163368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).