(2R)-3-benzyl-2-[1-[(3-bromophenyl)methyl]triazol-4-yl]-1,3-oxazolidine

C19H19BrN4O — CID 99966607

IUPAC(2R)-3-benzyl-2-[1-[(3-bromophenyl)methyl]triazol-4-yl]-1,3-oxazolidine
SMILESBrc1cccc(Cn2cc([C@H]3OCCN3Cc3ccccc3)nn2)c1
InChIInChI=1S/C19H19BrN4O/c20-17-8-4-7-16(11-17)13-24-14-18(21-22-24)19-23(9-10-25-19)12-15-5-2-1-3-6-15/h1-8,11,14,19H,9-10,12-13H2/t19-/m1/s1
InChIKeyZTVOFGVNHUSUFK-LJQANCHMSA-N
MW399.29 g/mol
LogP3.62
Rot. Bonds5

About (2R)-3-benzyl-2-[1-[(3-bromophenyl)methyl]triazol-4-yl]-1,3-oxazolidine

(2R)-3-benzyl-2-[1-[(3-bromophenyl)methyl]triazol-4-yl]-1,3-oxazolidine (PubChem CID 99966607) has the molecular formula C19H19BrN4O and a molecular weight of 399.29 g/mol. Its IUPAC name is (2R)-3-benzyl-2-[1-[(3-bromophenyl)methyl]triazol-4-yl]-1,3-oxazolidine.

Molecular Properties

Compound Name(2R)-3-benzyl-2-[1-[(3-bromophenyl)methyl]triazol-4-yl]-1,3-oxazolidine
PubChem CID99966607
Molecular FormulaC19H19BrN4O
Molecular Weight399.29 g/mol
Exact Mass398.07
IUPAC Name(2R)-3-benzyl-2-[1-[(3-bromophenyl)methyl]triazol-4-yl]-1,3-oxazolidine
SMILESBrc1cccc(Cn2cc([C@H]3OCCN3Cc3ccccc3)nn2)c1
InChIInChI=1S/C19H19BrN4O/c20-17-8-4-7-16(11-17)13-24-14-18(21-22-24)19-23(9-10-25-19)12-15-5-2-1-3-6-15/h1-8,11,14,19H,9-10,12-13H2/t19-/m1/s1
InChIKeyZTVOFGVNHUSUFK-LJQANCHMSA-N
XLogP3.62
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.29
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-[(3-bromophenyl)methyl]triazol-4-yl]-3-[(3-methylphenyl)methyl]-1,3-oxazolidine
CID 132664377
2-[1-[(3-bromophenyl)methyl]triazol-4-yl]-3-phenyl-1,3-oxazolidine
CID 132658083
(2S)-3-[(3-methylphenyl)methyl]-2-[1-[(3-methylphenyl)methyl]triazol-4-yl]-1,3-oxazolidine
CID 99966663
2-[1-[(4-chlorophenyl)methyl]triazol-4-yl]-3-[(3-methylphenyl)methyl]-1,3-oxazolidine
CID 132655336
(2S)-3-benzyl-2-[1-[(2-methylphenyl)methyl]triazol-4-yl]-1,3-oxazolidine
CID 99966574
(2S)-3-[(4-methylphenyl)methyl]-2-[1-[(4-methylphenyl)methyl]triazol-4-yl]-1,3-oxazolidine
CID 99966616
2-[1-[(4-fluorophenyl)methyl]triazol-4-yl]-3-[(3-methylphenyl)methyl]-1,3-oxazolidine
CID 132653143
(2R)-2-[1-[(4-fluorophenyl)methyl]triazol-4-yl]-3-[(3-methylphenyl)methyl]-1,3-oxazolidine
CID 99966676
(2R)-3-[(4-methoxyphenyl)methyl]-2-[1-[(3-methylphenyl)methyl]triazol-4-yl]-1,3-oxazolidine
CID 99966702
(2R)-2-[1-[(2-chlorophenyl)methyl]triazol-4-yl]-3-[(3-methylphenyl)methyl]-1,3-oxazolidine
CID 99966667
(2R)-2-[1-[(3-chlorophenyl)methyl]triazol-4-yl]-3-[(4-methoxyphenyl)methyl]-1,3-oxazolidine
CID 99966709
(2S)-2-[1-[(3-bromophenyl)methyl]triazol-4-yl]-3-(4-ethylphenyl)-1,3-oxazolidine
CID 99966524

Frequently Asked Questions

What is the IUPAC name of (2R)-3-benzyl-2-[1-[(3-bromophenyl)methyl]triazol-4-yl]-1,3-oxazolidine?
The IUPAC name of (2R)-3-benzyl-2-[1-[(3-bromophenyl)methyl]triazol-4-yl]-1,3-oxazolidine (CID 99966607) is (2R)-3-benzyl-2-[1-[(3-bromophenyl)methyl]triazol-4-yl]-1,3-oxazolidine.
What is the SMILES notation for (2R)-3-benzyl-2-[1-[(3-bromophenyl)methyl]triazol-4-yl]-1,3-oxazolidine?
The canonical SMILES for (2R)-3-benzyl-2-[1-[(3-bromophenyl)methyl]triazol-4-yl]-1,3-oxazolidine is Brc1cccc(Cn2cc([C@H]3OCCN3Cc3ccccc3)nn2)c1.
What is the InChIKey of (2R)-3-benzyl-2-[1-[(3-bromophenyl)methyl]triazol-4-yl]-1,3-oxazolidine?
The InChIKey is ZTVOFGVNHUSUFK-LJQANCHMSA-N. The full InChI is InChI=1S/C19H19BrN4O/c20-17-8-4-7-16(11-17)13-24-14-18(21-22-24)19-23(9-10-25-19)12-15-5-2-1-3-6-15/h1-8,11,14,19H,9-10,12-13H2/t19-/m1/s1.
What are the key properties of (2R)-3-benzyl-2-[1-[(3-bromophenyl)methyl]triazol-4-yl]-1,3-oxazolidine?
(2R)-3-benzyl-2-[1-[(3-bromophenyl)methyl]triazol-4-yl]-1,3-oxazolidine has a molecular weight of 399.29 g/mol, XLogP of 3.62, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-benzyl-2-[1-[(3-bromophenyl)methyl]triazol-4-yl]-1,3-oxazolidine is sourced from PubChem (CID 99966607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).