1-[[5-(3-chlorophenyl)furan-2-yl]methyl]-4-[(3S)-oxolan-3-yl]triazole

C17H16ClN3O2 — CID 97133638

IUPAC1-[[5-(3-chlorophenyl)furan-2-yl]methyl]-4-[(3S)-oxolan-3-yl]triazole
SMILESClc1cccc(-c2ccc(Cn3cc([C@@H]4CCOC4)nn3)o2)c1
InChIInChI=1S/C17H16ClN3O2/c18-14-3-1-2-12(8-14)17-5-4-15(23-17)9-21-10-16(19-20-21)13-6-7-22-11-13/h1-5,8,10,13H,6-7,9,11H2/t13-/m1/s1
InChIKeyHWXQBMQUIJOOMM-CYBMUJFWSA-N
MW329.79 g/mol
LogP3.74
Rot. Bonds4

About 1-[[5-(3-chlorophenyl)furan-2-yl]methyl]-4-[(3S)-oxolan-3-yl]triazole

1-[[5-(3-chlorophenyl)furan-2-yl]methyl]-4-[(3S)-oxolan-3-yl]triazole (PubChem CID 97133638) has the molecular formula C17H16ClN3O2 and a molecular weight of 329.79 g/mol. Its IUPAC name is 1-[[5-(3-chlorophenyl)furan-2-yl]methyl]-4-[(3S)-oxolan-3-yl]triazole.

Molecular Properties

Compound Name1-[[5-(3-chlorophenyl)furan-2-yl]methyl]-4-[(3S)-oxolan-3-yl]triazole
PubChem CID97133638
Molecular FormulaC17H16ClN3O2
Molecular Weight329.79 g/mol
Exact Mass329.09
IUPAC Name1-[[5-(3-chlorophenyl)furan-2-yl]methyl]-4-[(3S)-oxolan-3-yl]triazole
SMILESClc1cccc(-c2ccc(Cn3cc([C@@H]4CCOC4)nn3)o2)c1
InChIInChI=1S/C17H16ClN3O2/c18-14-3-1-2-12(8-14)17-5-4-15(23-17)9-21-10-16(19-20-21)13-6-7-22-11-13/h1-5,8,10,13H,6-7,9,11H2/t13-/m1/s1
InChIKeyHWXQBMQUIJOOMM-CYBMUJFWSA-N
XLogP3.74
TPSA53.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.79
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[4-[(3S)-oxolan-3-yl]triazol-1-yl]methyl]-1H-indole
CID 97154603
5-chloro-2-methyl-3-[2-[4-(oxolan-3-yl)triazol-1-yl]ethyl]-1H-indole
CID 72857150
1-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-4-[(3R)-oxolan-3-yl]triazole
CID 97125291
4-[[4-(oxolan-3-yl)triazol-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole
CID 70723098
3-[[4-[(3R)-oxolan-3-yl]triazol-1-yl]methyl]-4-propyl-1,2,4-triazole
CID 97138633
2-methyl-8-[2-[4-[(3R)-oxolan-3-yl]triazol-1-yl]ethoxy]quinoline
CID 97143559
4-[(3R)-oxolan-3-yl]-1-[2-(1-phenylpyrazol-4-yl)ethyl]triazole
CID 97126547
2-[4-[[4-(oxolan-3-yl)triazol-1-yl]methyl]cyclohexyl]-1H-benzimidazole
CID 72860324
2-[1-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl]triazol-4-yl]ethanol
CID 62400785
[5-(3-chlorophenyl)furan-2-yl]methyl-cyclopentylazanium
CID 8622800
N-[[5-(3-chlorophenyl)furan-2-yl]methyl]-2-morpholin-4-ylethanamine
CID 4723728
N-[[5-(3-chlorophenyl)furan-2-yl]methyl]-2H-tetrazol-5-amine;hydrochloride
CID 163328000

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(3-chlorophenyl)furan-2-yl]methyl]-4-[(3S)-oxolan-3-yl]triazole?
The IUPAC name of 1-[[5-(3-chlorophenyl)furan-2-yl]methyl]-4-[(3S)-oxolan-3-yl]triazole (CID 97133638) is 1-[[5-(3-chlorophenyl)furan-2-yl]methyl]-4-[(3S)-oxolan-3-yl]triazole.
What is the SMILES notation for 1-[[5-(3-chlorophenyl)furan-2-yl]methyl]-4-[(3S)-oxolan-3-yl]triazole?
The canonical SMILES for 1-[[5-(3-chlorophenyl)furan-2-yl]methyl]-4-[(3S)-oxolan-3-yl]triazole is Clc1cccc(-c2ccc(Cn3cc([C@@H]4CCOC4)nn3)o2)c1.
What is the InChIKey of 1-[[5-(3-chlorophenyl)furan-2-yl]methyl]-4-[(3S)-oxolan-3-yl]triazole?
The InChIKey is HWXQBMQUIJOOMM-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H16ClN3O2/c18-14-3-1-2-12(8-14)17-5-4-15(23-17)9-21-10-16(19-20-21)13-6-7-22-11-13/h1-5,8,10,13H,6-7,9,11H2/t13-/m1/s1.
What are the key properties of 1-[[5-(3-chlorophenyl)furan-2-yl]methyl]-4-[(3S)-oxolan-3-yl]triazole?
1-[[5-(3-chlorophenyl)furan-2-yl]methyl]-4-[(3S)-oxolan-3-yl]triazole has a molecular weight of 329.79 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(3-chlorophenyl)furan-2-yl]methyl]-4-[(3S)-oxolan-3-yl]triazole is sourced from PubChem (CID 97133638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).