5-(4-chlorophenyl)-2-[[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]methyl]-1,3-oxazole

C20H22ClN5O — CID 167881176

IUPAC5-(4-chlorophenyl)-2-[[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]methyl]-1,3-oxazole
SMILESClc1ccc(-c2cnc(CN3CCC(c4nnc5n4CCC5)CC3)o2)cc1
InChIInChI=1S/C20H22ClN5O/c21-16-5-3-14(4-6-16)17-12-22-19(27-17)13-25-10-7-15(8-11-25)20-24-23-18-2-1-9-26(18)20/h3-6,12,15H,1-2,7-11,13H2
InChIKeyHZTBMQPFRVJXOV-UHFFFAOYSA-N
MW383.88 g/mol
LogP3.91
Rot. Bonds4

About 5-(4-chlorophenyl)-2-[[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]methyl]-1,3-oxazole

5-(4-chlorophenyl)-2-[[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]methyl]-1,3-oxazole (PubChem CID 167881176) has the molecular formula C20H22ClN5O and a molecular weight of 383.88 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-2-[[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]methyl]-1,3-oxazole.

Molecular Properties

Compound Name5-(4-chlorophenyl)-2-[[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]methyl]-1,3-oxazole
PubChem CID167881176
Molecular FormulaC20H22ClN5O
Molecular Weight383.88 g/mol
Exact Mass383.15
IUPAC Name5-(4-chlorophenyl)-2-[[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]methyl]-1,3-oxazole
SMILESClc1ccc(-c2cnc(CN3CCC(c4nnc5n4CCC5)CC3)o2)cc1
InChIInChI=1S/C20H22ClN5O/c21-16-5-3-14(4-6-16)17-12-22-19(27-17)13-25-10-7-15(8-11-25)20-24-23-18-2-1-9-26(18)20/h3-6,12,15H,1-2,7-11,13H2
InChIKeyHZTBMQPFRVJXOV-UHFFFAOYSA-N
XLogP3.91
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.88
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-(4-chlorophenyl)-2-[[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]methyl]-1,3-oxazole with MolForge

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Related Compounds

[1-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]pyrrolidin-3-yl]methanamine
CID 62062017
2-[[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]methyl]-5-(furan-2-yl)-1,3,4-oxadiazole
CID 56817361
1-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-N-methylpiperidine-4-carboxamide
CID 42542755
1-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]pyrrolidine-3-carboxylic acid
CID 63030493
4-[[4-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]piperazin-1-yl]methyl]benzonitrile
CID 8681785
1-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-N-phenylpiperidine-4-carboxamide
CID 18089162
5-[[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]methyl]-3-propyl-1,2,4-oxadiazole
CID 154774973
1-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-5-methylpiperidin-3-amine
CID 79994471
2-[[4-(4-bromophenyl)sulfonylpiperazin-1-yl]methyl]-5-(4-chlorophenyl)-1,3-oxazole
CID 17488115
[1-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-3-methylpyrrolidin-2-yl]methanol
CID 102788948
1-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl]piperidine-4-carboxylic acid
CID 119906619
5-(3-chlorophenyl)-2-[[(3R)-3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-1,3-oxazole
CID 97076109

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-2-[[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]methyl]-1,3-oxazole?
The IUPAC name of 5-(4-chlorophenyl)-2-[[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]methyl]-1,3-oxazole (CID 167881176) is 5-(4-chlorophenyl)-2-[[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]methyl]-1,3-oxazole.
What is the SMILES notation for 5-(4-chlorophenyl)-2-[[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]methyl]-1,3-oxazole?
The canonical SMILES for 5-(4-chlorophenyl)-2-[[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]methyl]-1,3-oxazole is Clc1ccc(-c2cnc(CN3CCC(c4nnc5n4CCC5)CC3)o2)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-2-[[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]methyl]-1,3-oxazole?
The InChIKey is HZTBMQPFRVJXOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN5O/c21-16-5-3-14(4-6-16)17-12-22-19(27-17)13-25-10-7-15(8-11-25)20-24-23-18-2-1-9-26(18)20/h3-6,12,15H,1-2,7-11,13H2.
What are the key properties of 5-(4-chlorophenyl)-2-[[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]methyl]-1,3-oxazole?
5-(4-chlorophenyl)-2-[[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]methyl]-1,3-oxazole has a molecular weight of 383.88 g/mol, XLogP of 3.91, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-2-[[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]methyl]-1,3-oxazole is sourced from PubChem (CID 167881176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).