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

C18H21N5O — CID 167928320

IUPAC5-(3-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-6-yl)-3-(2-methyl-1-phenylpropan-2-yl)-1,2,4-oxadiazole
SMILESCc1nnc2n1CC(c1nc(C(C)(C)Cc3ccccc3)no1)C2
InChIInChI=1S/C18H21N5O/c1-12-20-21-15-9-14(11-23(12)15)16-19-17(22-24-16)18(2,3)10-13-7-5-4-6-8-13/h4-8,14H,9-11H2,1-3H3
InChIKeyJFLPWDQWOCHJIR-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.83
Rot. Bonds4

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

5-(3-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-6-yl)-3-(2-methyl-1-phenylpropan-2-yl)-1,2,4-oxadiazole (PubChem CID 167928320) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is 5-(3-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-6-yl)-3-(2-methyl-1-phenylpropan-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(3-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-6-yl)-3-(2-methyl-1-phenylpropan-2-yl)-1,2,4-oxadiazole
PubChem CID167928320
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC Name5-(3-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-6-yl)-3-(2-methyl-1-phenylpropan-2-yl)-1,2,4-oxadiazole
SMILESCc1nnc2n1CC(c1nc(C(C)(C)Cc3ccccc3)no1)C2
InChIInChI=1S/C18H21N5O/c1-12-20-21-15-9-14(11-23(12)15)16-19-17(22-24-16)18(2,3)10-13-7-5-4-6-8-13/h4-8,14H,9-11H2,1-3H3
InChIKeyJFLPWDQWOCHJIR-UHFFFAOYSA-N
XLogP2.83
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Frequently Asked Questions

What is the IUPAC name of 5-(3-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-6-yl)-3-(2-methyl-1-phenylpropan-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-(3-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-6-yl)-3-(2-methyl-1-phenylpropan-2-yl)-1,2,4-oxadiazole (CID 167928320) is 5-(3-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-6-yl)-3-(2-methyl-1-phenylpropan-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(3-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-6-yl)-3-(2-methyl-1-phenylpropan-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(3-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-6-yl)-3-(2-methyl-1-phenylpropan-2-yl)-1,2,4-oxadiazole is Cc1nnc2n1CC(c1nc(C(C)(C)Cc3ccccc3)no1)C2.
What is the InChIKey of 5-(3-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-6-yl)-3-(2-methyl-1-phenylpropan-2-yl)-1,2,4-oxadiazole?
The InChIKey is JFLPWDQWOCHJIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c1-12-20-21-15-9-14(11-23(12)15)16-19-17(22-24-16)18(2,3)10-13-7-5-4-6-8-13/h4-8,14H,9-11H2,1-3H3.
What are the key properties of 5-(3-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-6-yl)-3-(2-methyl-1-phenylpropan-2-yl)-1,2,4-oxadiazole?
5-(3-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-6-yl)-3-(2-methyl-1-phenylpropan-2-yl)-1,2,4-oxadiazole has a molecular weight of 323.40 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-6-yl)-3-(2-methyl-1-phenylpropan-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 167928320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).