(2S)-3-benzyl-2-[1-[(2-methylphenyl)methyl]triazol-4-yl]-1,3-oxazolidine

C20H22N4O — CID 99966574

IUPAC(2S)-3-benzyl-2-[1-[(2-methylphenyl)methyl]triazol-4-yl]-1,3-oxazolidine
SMILESCc1ccccc1Cn1cc([C@@H]2OCCN2Cc2ccccc2)nn1
InChIInChI=1S/C20H22N4O/c1-16-7-5-6-10-18(16)14-24-15-19(21-22-24)20-23(11-12-25-20)13-17-8-3-2-4-9-17/h2-10,15,20H,11-14H2,1H3/t20-/m0/s1
InChIKeyZFRKJRPKDMQRLY-FQEVSTJZSA-N
MW334.42 g/mol
LogP3.17
Rot. Bonds5

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

(2S)-3-benzyl-2-[1-[(2-methylphenyl)methyl]triazol-4-yl]-1,3-oxazolidine (PubChem CID 99966574) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is (2S)-3-benzyl-2-[1-[(2-methylphenyl)methyl]triazol-4-yl]-1,3-oxazolidine.

Molecular Properties

Compound Name(2S)-3-benzyl-2-[1-[(2-methylphenyl)methyl]triazol-4-yl]-1,3-oxazolidine
PubChem CID99966574
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name(2S)-3-benzyl-2-[1-[(2-methylphenyl)methyl]triazol-4-yl]-1,3-oxazolidine
SMILESCc1ccccc1Cn1cc([C@@H]2OCCN2Cc2ccccc2)nn1
InChIInChI=1S/C20H22N4O/c1-16-7-5-6-10-18(16)14-24-15-19(21-22-24)20-23(11-12-25-20)13-17-8-3-2-4-9-17/h2-10,15,20H,11-14H2,1H3/t20-/m0/s1
InChIKeyZFRKJRPKDMQRLY-FQEVSTJZSA-N
XLogP3.17
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-[1-[(2-chlorophenyl)methyl]triazol-4-yl]-3-[(3-methylphenyl)methyl]-1,3-oxazolidine
CID 99966667
(2S)-3-[(4-methylphenyl)methyl]-2-[1-[(4-methylphenyl)methyl]triazol-4-yl]-1,3-oxazolidine
CID 99966616
(2S)-3-[(3-methylphenyl)methyl]-2-[1-[(3-methylphenyl)methyl]triazol-4-yl]-1,3-oxazolidine
CID 99966663
2-[[4-[(2S)-3-[(4-methylphenyl)methyl]-1,3-oxazolidin-2-yl]triazol-1-yl]methyl]benzonitrile
CID 99966632
(2R)-3-benzyl-2-[1-[(3-bromophenyl)methyl]triazol-4-yl]-1,3-oxazolidine
CID 99966607
2-[1-[(4-chlorophenyl)methyl]triazol-4-yl]-3-[(3-methylphenyl)methyl]-1,3-oxazolidine
CID 132655336
(2R)-2-[1-[(4-chlorophenyl)methyl]triazol-4-yl]-3-[(4-methylphenyl)methyl]-1,3-oxazolidine
CID 99966623
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)-2-[1-[(4-fluorophenyl)methyl]triazol-4-yl]-3-[(4-methylphenyl)methyl]-1,3-oxazolidine
CID 99966628
(2R)-3-[(4-methoxyphenyl)methyl]-2-[1-[(3-methylphenyl)methyl]triazol-4-yl]-1,3-oxazolidine
CID 99966702
1-[(2-methylphenyl)methyl]-4-(1,3-oxathiolan-2-yl)triazole
CID 132649545

Frequently Asked Questions

What is the IUPAC name of (2S)-3-benzyl-2-[1-[(2-methylphenyl)methyl]triazol-4-yl]-1,3-oxazolidine?
The IUPAC name of (2S)-3-benzyl-2-[1-[(2-methylphenyl)methyl]triazol-4-yl]-1,3-oxazolidine (CID 99966574) is (2S)-3-benzyl-2-[1-[(2-methylphenyl)methyl]triazol-4-yl]-1,3-oxazolidine.
What is the SMILES notation for (2S)-3-benzyl-2-[1-[(2-methylphenyl)methyl]triazol-4-yl]-1,3-oxazolidine?
The canonical SMILES for (2S)-3-benzyl-2-[1-[(2-methylphenyl)methyl]triazol-4-yl]-1,3-oxazolidine is Cc1ccccc1Cn1cc([C@@H]2OCCN2Cc2ccccc2)nn1.
What is the InChIKey of (2S)-3-benzyl-2-[1-[(2-methylphenyl)methyl]triazol-4-yl]-1,3-oxazolidine?
The InChIKey is ZFRKJRPKDMQRLY-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H22N4O/c1-16-7-5-6-10-18(16)14-24-15-19(21-22-24)20-23(11-12-25-20)13-17-8-3-2-4-9-17/h2-10,15,20H,11-14H2,1H3/t20-/m0/s1.
What are the key properties of (2S)-3-benzyl-2-[1-[(2-methylphenyl)methyl]triazol-4-yl]-1,3-oxazolidine?
(2S)-3-benzyl-2-[1-[(2-methylphenyl)methyl]triazol-4-yl]-1,3-oxazolidine has a molecular weight of 334.42 g/mol, XLogP of 3.17, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-benzyl-2-[1-[(2-methylphenyl)methyl]triazol-4-yl]-1,3-oxazolidine is sourced from PubChem (CID 99966574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).