5-[(1R)-1-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]ethyl]-3-propyl-1,2,4-oxadiazole

C17H22N6O — CID 38953858

IUPAC5-[(1R)-1-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]ethyl]-3-propyl-1,2,4-oxadiazole
SMILESCCCc1noc([C@@H](C)n2nnc(-c3ccc(C(C)C)cc3)n2)n1
InChIInChI=1S/C17H22N6O/c1-5-6-15-18-17(24-21-15)12(4)23-20-16(19-22-23)14-9-7-13(8-10-14)11(2)3/h7-12H,5-6H2,1-4H3/t12-/m1/s1
InChIKeyLNOYNIKWBLQKCH-GFCCVEGCSA-N
MW326.40 g/mol
LogP3.41
Rot. Bonds6

About 5-[(1R)-1-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]ethyl]-3-propyl-1,2,4-oxadiazole

5-[(1R)-1-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]ethyl]-3-propyl-1,2,4-oxadiazole (PubChem CID 38953858) has the molecular formula C17H22N6O and a molecular weight of 326.40 g/mol. Its IUPAC name is 5-[(1R)-1-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]ethyl]-3-propyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(1R)-1-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]ethyl]-3-propyl-1,2,4-oxadiazole
PubChem CID38953858
Molecular FormulaC17H22N6O
Molecular Weight326.40 g/mol
Exact Mass326.19
IUPAC Name5-[(1R)-1-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]ethyl]-3-propyl-1,2,4-oxadiazole
SMILESCCCc1noc([C@@H](C)n2nnc(-c3ccc(C(C)C)cc3)n2)n1
InChIInChI=1S/C17H22N6O/c1-5-6-15-18-17(24-21-15)12(4)23-20-16(19-22-23)14-9-7-13(8-10-14)11(2)3/h7-12H,5-6H2,1-4H3/t12-/m1/s1
InChIKeyLNOYNIKWBLQKCH-GFCCVEGCSA-N
XLogP3.41
TPSA82.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[(1R)-1-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]ethyl]-3-propyl-1,2,4-oxadiazole?
The IUPAC name of 5-[(1R)-1-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]ethyl]-3-propyl-1,2,4-oxadiazole (CID 38953858) is 5-[(1R)-1-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]ethyl]-3-propyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(1R)-1-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]ethyl]-3-propyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(1R)-1-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]ethyl]-3-propyl-1,2,4-oxadiazole is CCCc1noc([C@@H](C)n2nnc(-c3ccc(C(C)C)cc3)n2)n1.
What is the InChIKey of 5-[(1R)-1-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]ethyl]-3-propyl-1,2,4-oxadiazole?
The InChIKey is LNOYNIKWBLQKCH-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H22N6O/c1-5-6-15-18-17(24-21-15)12(4)23-20-16(19-22-23)14-9-7-13(8-10-14)11(2)3/h7-12H,5-6H2,1-4H3/t12-/m1/s1.
What are the key properties of 5-[(1R)-1-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]ethyl]-3-propyl-1,2,4-oxadiazole?
5-[(1R)-1-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]ethyl]-3-propyl-1,2,4-oxadiazole has a molecular weight of 326.40 g/mol, XLogP of 3.41, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R)-1-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]ethyl]-3-propyl-1,2,4-oxadiazole is sourced from PubChem (CID 38953858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).