4-[[1-[1-(1,2-oxazol-3-ylmethyl)tetrazol-5-yl]piperidin-4-yl]methyl]morpholine

C15H23N7O2 — CID 138054075

IUPAC4-[[1-[1-(1,2-oxazol-3-ylmethyl)tetrazol-5-yl]piperidin-4-yl]methyl]morpholine
SMILESc1cc(Cn2nnnc2N2CCC(CN3CCOCC3)CC2)no1
InChIInChI=1S/C15H23N7O2/c1-4-21(5-2-13(1)11-20-6-9-23-10-7-20)15-16-18-19-22(15)12-14-3-8-24-17-14/h3,8,13H,1-2,4-7,9-12H2
InChIKeyKGWFQJRIGZSVJK-UHFFFAOYSA-N
MW333.40 g/mol
LogP0.26
Rot. Bonds5

About 4-[[1-[1-(1,2-oxazol-3-ylmethyl)tetrazol-5-yl]piperidin-4-yl]methyl]morpholine

4-[[1-[1-(1,2-oxazol-3-ylmethyl)tetrazol-5-yl]piperidin-4-yl]methyl]morpholine (PubChem CID 138054075) has the molecular formula C15H23N7O2 and a molecular weight of 333.40 g/mol. Its IUPAC name is 4-[[1-[1-(1,2-oxazol-3-ylmethyl)tetrazol-5-yl]piperidin-4-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[1-[1-(1,2-oxazol-3-ylmethyl)tetrazol-5-yl]piperidin-4-yl]methyl]morpholine
PubChem CID138054075
Molecular FormulaC15H23N7O2
Molecular Weight333.40 g/mol
Exact Mass333.19
IUPAC Name4-[[1-[1-(1,2-oxazol-3-ylmethyl)tetrazol-5-yl]piperidin-4-yl]methyl]morpholine
SMILESc1cc(Cn2nnnc2N2CCC(CN3CCOCC3)CC2)no1
InChIInChI=1S/C15H23N7O2/c1-4-21(5-2-13(1)11-20-6-9-23-10-7-20)15-16-18-19-22(15)12-14-3-8-24-17-14/h3,8,13H,1-2,4-7,9-12H2
InChIKeyKGWFQJRIGZSVJK-UHFFFAOYSA-N
XLogP0.26
TPSA85.34 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 50.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-[[1-[1-(1,2-oxazol-3-ylmethyl)tetrazol-5-yl]piperidin-4-yl]methyl]morpholine?
The IUPAC name of 4-[[1-[1-(1,2-oxazol-3-ylmethyl)tetrazol-5-yl]piperidin-4-yl]methyl]morpholine (CID 138054075) is 4-[[1-[1-(1,2-oxazol-3-ylmethyl)tetrazol-5-yl]piperidin-4-yl]methyl]morpholine.
What is the SMILES notation for 4-[[1-[1-(1,2-oxazol-3-ylmethyl)tetrazol-5-yl]piperidin-4-yl]methyl]morpholine?
The canonical SMILES for 4-[[1-[1-(1,2-oxazol-3-ylmethyl)tetrazol-5-yl]piperidin-4-yl]methyl]morpholine is c1cc(Cn2nnnc2N2CCC(CN3CCOCC3)CC2)no1.
What is the InChIKey of 4-[[1-[1-(1,2-oxazol-3-ylmethyl)tetrazol-5-yl]piperidin-4-yl]methyl]morpholine?
The InChIKey is KGWFQJRIGZSVJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N7O2/c1-4-21(5-2-13(1)11-20-6-9-23-10-7-20)15-16-18-19-22(15)12-14-3-8-24-17-14/h3,8,13H,1-2,4-7,9-12H2.
What are the key properties of 4-[[1-[1-(1,2-oxazol-3-ylmethyl)tetrazol-5-yl]piperidin-4-yl]methyl]morpholine?
4-[[1-[1-(1,2-oxazol-3-ylmethyl)tetrazol-5-yl]piperidin-4-yl]methyl]morpholine has a molecular weight of 333.40 g/mol, XLogP of 0.26, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-[1-(1,2-oxazol-3-ylmethyl)tetrazol-5-yl]piperidin-4-yl]methyl]morpholine is sourced from PubChem (CID 138054075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).