5-(3-propan-2-yl-1,2-oxazol-5-yl)-3-[(1-propylpiperidin-4-yl)methyl]-1,2,4-oxadiazole

C17H26N4O2 — CID 72870819

IUPAC5-(3-propan-2-yl-1,2-oxazol-5-yl)-3-[(1-propylpiperidin-4-yl)methyl]-1,2,4-oxadiazole
SMILESCCCN1CCC(Cc2noc(-c3cc(C(C)C)no3)n2)CC1
InChIInChI=1S/C17H26N4O2/c1-4-7-21-8-5-13(6-9-21)10-16-18-17(23-20-16)15-11-14(12(2)3)19-22-15/h11-13H,4-10H2,1-3H3
InChIKeyFURCMBLFLCDPHA-UHFFFAOYSA-N
MW318.42 g/mol
LogP3.51
Rot. Bonds6

About 5-(3-propan-2-yl-1,2-oxazol-5-yl)-3-[(1-propylpiperidin-4-yl)methyl]-1,2,4-oxadiazole

5-(3-propan-2-yl-1,2-oxazol-5-yl)-3-[(1-propylpiperidin-4-yl)methyl]-1,2,4-oxadiazole (PubChem CID 72870819) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 5-(3-propan-2-yl-1,2-oxazol-5-yl)-3-[(1-propylpiperidin-4-yl)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(3-propan-2-yl-1,2-oxazol-5-yl)-3-[(1-propylpiperidin-4-yl)methyl]-1,2,4-oxadiazole
PubChem CID72870819
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Name5-(3-propan-2-yl-1,2-oxazol-5-yl)-3-[(1-propylpiperidin-4-yl)methyl]-1,2,4-oxadiazole
SMILESCCCN1CCC(Cc2noc(-c3cc(C(C)C)no3)n2)CC1
InChIInChI=1S/C17H26N4O2/c1-4-7-21-8-5-13(6-9-21)10-16-18-17(23-20-16)15-11-14(12(2)3)19-22-15/h11-13H,4-10H2,1-3H3
InChIKeyFURCMBLFLCDPHA-UHFFFAOYSA-N
XLogP3.51
TPSA68.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(3-propan-2-yl-1,2-oxazol-5-yl)-3-[(1-propylpiperidin-4-yl)methyl]-1,2,4-oxadiazole?
The IUPAC name of 5-(3-propan-2-yl-1,2-oxazol-5-yl)-3-[(1-propylpiperidin-4-yl)methyl]-1,2,4-oxadiazole (CID 72870819) is 5-(3-propan-2-yl-1,2-oxazol-5-yl)-3-[(1-propylpiperidin-4-yl)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(3-propan-2-yl-1,2-oxazol-5-yl)-3-[(1-propylpiperidin-4-yl)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(3-propan-2-yl-1,2-oxazol-5-yl)-3-[(1-propylpiperidin-4-yl)methyl]-1,2,4-oxadiazole is CCCN1CCC(Cc2noc(-c3cc(C(C)C)no3)n2)CC1.
What is the InChIKey of 5-(3-propan-2-yl-1,2-oxazol-5-yl)-3-[(1-propylpiperidin-4-yl)methyl]-1,2,4-oxadiazole?
The InChIKey is FURCMBLFLCDPHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-4-7-21-8-5-13(6-9-21)10-16-18-17(23-20-16)15-11-14(12(2)3)19-22-15/h11-13H,4-10H2,1-3H3.
What are the key properties of 5-(3-propan-2-yl-1,2-oxazol-5-yl)-3-[(1-propylpiperidin-4-yl)methyl]-1,2,4-oxadiazole?
5-(3-propan-2-yl-1,2-oxazol-5-yl)-3-[(1-propylpiperidin-4-yl)methyl]-1,2,4-oxadiazole has a molecular weight of 318.42 g/mol, XLogP of 3.51, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-propan-2-yl-1,2-oxazol-5-yl)-3-[(1-propylpiperidin-4-yl)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 72870819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).