4-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl]-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholine

C16H26N6O2 — CID 71872314

IUPAC4-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl]-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholine
SMILESCCCCc1nc(CN2CCOC(c3nc(C(C)C)n[nH]3)C2)no1
InChIInChI=1S/C16H26N6O2/c1-4-5-6-14-17-13(21-24-14)10-22-7-8-23-12(9-22)16-18-15(11(2)3)19-20-16/h11-12H,4-10H2,1-3H3,(H,18,19,20)
InChIKeyWKESJZUEYBXJPE-UHFFFAOYSA-N
MW334.42 g/mol
LogP2.23
Rot. Bonds7

About 4-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl]-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholine

4-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl]-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholine (PubChem CID 71872314) has the molecular formula C16H26N6O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is 4-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl]-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholine.

Molecular Properties

Compound Name4-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl]-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholine
PubChem CID71872314
Molecular FormulaC16H26N6O2
Molecular Weight334.42 g/mol
Exact Mass334.21
IUPAC Name4-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl]-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholine
SMILESCCCCc1nc(CN2CCOC(c3nc(C(C)C)n[nH]3)C2)no1
InChIInChI=1S/C16H26N6O2/c1-4-5-6-14-17-13(21-24-14)10-22-7-8-23-12(9-22)16-18-15(11(2)3)19-20-16/h11-12H,4-10H2,1-3H3,(H,18,19,20)
InChIKeyWKESJZUEYBXJPE-UHFFFAOYSA-N
XLogP2.23
TPSA92.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl]-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholine?
The IUPAC name of 4-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl]-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholine (CID 71872314) is 4-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl]-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholine.
What is the SMILES notation for 4-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl]-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholine?
The canonical SMILES for 4-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl]-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholine is CCCCc1nc(CN2CCOC(c3nc(C(C)C)n[nH]3)C2)no1.
What is the InChIKey of 4-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl]-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholine?
The InChIKey is WKESJZUEYBXJPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N6O2/c1-4-5-6-14-17-13(21-24-14)10-22-7-8-23-12(9-22)16-18-15(11(2)3)19-20-16/h11-12H,4-10H2,1-3H3,(H,18,19,20).
What are the key properties of 4-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl]-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholine?
4-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl]-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholine has a molecular weight of 334.42 g/mol, XLogP of 2.23, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl]-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholine is sourced from PubChem (CID 71872314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).