(2R)-1-phenylmethoxy-3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propan-2-ol

C20H20N4O2 — CID 10736491

IUPAC(2R)-1-phenylmethoxy-3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propan-2-ol
SMILESO[C@@H](COCc1ccccc1)Cc1c[nH]c2ccc(-n3cnnc3)cc12
InChIInChI=1S/C20H20N4O2/c25-18(12-26-11-15-4-2-1-3-5-15)8-16-10-21-20-7-6-17(9-19(16)20)24-13-22-23-14-24/h1-7,9-10,13-14,18,21,25H,8,11-12H2/t18-/m1/s1
InChIKeyXHOZZIYXBPXWOF-GOSISDBHSA-N
MW348.41 g/mol
LogP2.87
Rot. Bonds7

About (2R)-1-phenylmethoxy-3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propan-2-ol

(2R)-1-phenylmethoxy-3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propan-2-ol (PubChem CID 10736491) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is (2R)-1-phenylmethoxy-3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-phenylmethoxy-3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propan-2-ol
PubChem CID10736491
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name(2R)-1-phenylmethoxy-3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propan-2-ol
SMILESO[C@@H](COCc1ccccc1)Cc1c[nH]c2ccc(-n3cnnc3)cc12
InChIInChI=1S/C20H20N4O2/c25-18(12-26-11-15-4-2-1-3-5-15)8-16-10-21-20-7-6-17(9-19(16)20)24-13-22-23-14-24/h1-7,9-10,13-14,18,21,25H,8,11-12H2/t18-/m1/s1
InChIKeyXHOZZIYXBPXWOF-GOSISDBHSA-N
XLogP2.87
TPSA75.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R)-1-phenylmethoxy-3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propan-2-ol with MolForge

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Related Compounds

1-piperazin-1-yl-3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propan-2-ol
CID 18975339
3-[2-[(2S)-2-(phenylmethoxymethyl)pyrrolidin-1-yl]ethyl]-5-(1,2,4-triazol-4-yl)-1H-indole
CID 10787240
3-[2-[(2R)-2-(phenylmethoxymethyl)pyrrolidin-1-yl]ethyl]-5-(1,2,4-triazol-4-yl)-1H-indole
CID 10834908
(2S)-2-fluoro-3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propan-1-ol
CID 10611350
3-[2-[(4R)-4-(phenylmethoxymethyl)pyrrolidin-2-yl]ethyl]-5-(1,2,4-triazol-4-yl)-1H-indole
CID 174317497
3-[(2R)-2-fluoro-3-[4-(2-phenylethyl)piperazin-1-yl]propyl]-5-(1,2,4-triazol-4-yl)-1H-indole
CID 67594021
N-[4-[2-[4-[(2R)-2-hydroxy-3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperazin-1-yl]ethyl]phenyl]acetamide
CID 70101925
3-phenyl-2-[[1-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperidin-4-yl]amino]propan-1-ol
CID 70104878
3-[3-[4-benzyl-5-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-5-(1,2,4-triazol-4-yl)-1H-indole;oxalic acid
CID 18791733
3-[2-fluoro-3-[4-[2-(3-fluorophenyl)ethyl]piperazin-1-yl]propyl]-5-(1,2,4-triazol-4-yl)-1H-indole
CID 10575553
N-benzyl-1-[(3S)-1-[2-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]ethyl]pyrrolidin-3-yl]methanamine
CID 10386282
(3R)-N-benzyl-N-methyl-1-[2-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]ethyl]pyrrolidin-3-amine
CID 10621020

Frequently Asked Questions

What is the IUPAC name of (2R)-1-phenylmethoxy-3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propan-2-ol?
The IUPAC name of (2R)-1-phenylmethoxy-3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propan-2-ol (CID 10736491) is (2R)-1-phenylmethoxy-3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propan-2-ol.
What is the SMILES notation for (2R)-1-phenylmethoxy-3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propan-2-ol?
The canonical SMILES for (2R)-1-phenylmethoxy-3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propan-2-ol is O[C@@H](COCc1ccccc1)Cc1c[nH]c2ccc(-n3cnnc3)cc12.
What is the InChIKey of (2R)-1-phenylmethoxy-3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propan-2-ol?
The InChIKey is XHOZZIYXBPXWOF-GOSISDBHSA-N. The full InChI is InChI=1S/C20H20N4O2/c25-18(12-26-11-15-4-2-1-3-5-15)8-16-10-21-20-7-6-17(9-19(16)20)24-13-22-23-14-24/h1-7,9-10,13-14,18,21,25H,8,11-12H2/t18-/m1/s1.
What are the key properties of (2R)-1-phenylmethoxy-3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propan-2-ol?
(2R)-1-phenylmethoxy-3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propan-2-ol has a molecular weight of 348.41 g/mol, XLogP of 2.87, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-phenylmethoxy-3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propan-2-ol is sourced from PubChem (CID 10736491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).