5-[[(2S)-2-[5-(methoxymethyl)furan-2-yl]pyrrolidin-1-yl]methyl]-1-phenyl-1,2,4-triazole

C19H22N4O2 — CID 124721321

IUPAC5-[[(2S)-2-[5-(methoxymethyl)furan-2-yl]pyrrolidin-1-yl]methyl]-1-phenyl-1,2,4-triazole
SMILESCOCc1ccc([C@@H]2CCCN2Cc2ncnn2-c2ccccc2)o1
InChIInChI=1S/C19H22N4O2/c1-24-13-16-9-10-18(25-16)17-8-5-11-22(17)12-19-20-14-21-23(19)15-6-3-2-4-7-15/h2-4,6-7,9-10,14,17H,5,8,11-13H2,1H3/t17-/m0/s1
InChIKeyABOJEJVUQIZZMQ-KRWDZBQOSA-N
MW338.41 g/mol
LogP3.34
Rot. Bonds6

About 5-[[(2S)-2-[5-(methoxymethyl)furan-2-yl]pyrrolidin-1-yl]methyl]-1-phenyl-1,2,4-triazole

5-[[(2S)-2-[5-(methoxymethyl)furan-2-yl]pyrrolidin-1-yl]methyl]-1-phenyl-1,2,4-triazole (PubChem CID 124721321) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 5-[[(2S)-2-[5-(methoxymethyl)furan-2-yl]pyrrolidin-1-yl]methyl]-1-phenyl-1,2,4-triazole.

Molecular Properties

Compound Name5-[[(2S)-2-[5-(methoxymethyl)furan-2-yl]pyrrolidin-1-yl]methyl]-1-phenyl-1,2,4-triazole
PubChem CID124721321
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name5-[[(2S)-2-[5-(methoxymethyl)furan-2-yl]pyrrolidin-1-yl]methyl]-1-phenyl-1,2,4-triazole
SMILESCOCc1ccc([C@@H]2CCCN2Cc2ncnn2-c2ccccc2)o1
InChIInChI=1S/C19H22N4O2/c1-24-13-16-9-10-18(25-16)17-8-5-11-22(17)12-19-20-14-21-23(19)15-6-3-2-4-7-15/h2-4,6-7,9-10,14,17H,5,8,11-13H2,1H3/t17-/m0/s1
InChIKeyABOJEJVUQIZZMQ-KRWDZBQOSA-N
XLogP3.34
TPSA56.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[[(2S)-2-[5-(methoxymethyl)furan-2-yl]pyrrolidin-1-yl]methyl]-1-phenyl-1,2,4-triazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[[(2S)-2-[5-(methoxymethyl)furan-2-yl]pyrrolidin-1-yl]methyl]-1-phenyl-1,2,4-triazole?
The IUPAC name of 5-[[(2S)-2-[5-(methoxymethyl)furan-2-yl]pyrrolidin-1-yl]methyl]-1-phenyl-1,2,4-triazole (CID 124721321) is 5-[[(2S)-2-[5-(methoxymethyl)furan-2-yl]pyrrolidin-1-yl]methyl]-1-phenyl-1,2,4-triazole.
What is the SMILES notation for 5-[[(2S)-2-[5-(methoxymethyl)furan-2-yl]pyrrolidin-1-yl]methyl]-1-phenyl-1,2,4-triazole?
The canonical SMILES for 5-[[(2S)-2-[5-(methoxymethyl)furan-2-yl]pyrrolidin-1-yl]methyl]-1-phenyl-1,2,4-triazole is COCc1ccc([C@@H]2CCCN2Cc2ncnn2-c2ccccc2)o1.
What is the InChIKey of 5-[[(2S)-2-[5-(methoxymethyl)furan-2-yl]pyrrolidin-1-yl]methyl]-1-phenyl-1,2,4-triazole?
The InChIKey is ABOJEJVUQIZZMQ-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-24-13-16-9-10-18(25-16)17-8-5-11-22(17)12-19-20-14-21-23(19)15-6-3-2-4-7-15/h2-4,6-7,9-10,14,17H,5,8,11-13H2,1H3/t17-/m0/s1.
What are the key properties of 5-[[(2S)-2-[5-(methoxymethyl)furan-2-yl]pyrrolidin-1-yl]methyl]-1-phenyl-1,2,4-triazole?
5-[[(2S)-2-[5-(methoxymethyl)furan-2-yl]pyrrolidin-1-yl]methyl]-1-phenyl-1,2,4-triazole has a molecular weight of 338.41 g/mol, XLogP of 3.34, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2S)-2-[5-(methoxymethyl)furan-2-yl]pyrrolidin-1-yl]methyl]-1-phenyl-1,2,4-triazole is sourced from PubChem (CID 124721321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).