3-methyl-5-[[3-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]-1,2-oxazole

C19H30N6O — CID 70749973

IUPAC3-methyl-5-[[3-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]-1,2-oxazole
SMILESCc1cc(CN2CCCC(c3nnc(CN4CCCCC4)n3C)C2)on1
InChIInChI=1S/C19H30N6O/c1-15-11-17(26-22-15)13-25-10-6-7-16(12-25)19-21-20-18(23(19)2)14-24-8-4-3-5-9-24/h11,16H,3-10,12-14H2,1-2H3
InChIKeyVLZSJQRLPQJYPA-UHFFFAOYSA-N
MW358.49 g/mol
LogP2.48
Rot. Bonds5

About 3-methyl-5-[[3-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]-1,2-oxazole

3-methyl-5-[[3-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]-1,2-oxazole (PubChem CID 70749973) has the molecular formula C19H30N6O and a molecular weight of 358.49 g/mol. Its IUPAC name is 3-methyl-5-[[3-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]-1,2-oxazole.

Molecular Properties

Compound Name3-methyl-5-[[3-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]-1,2-oxazole
PubChem CID70749973
Molecular FormulaC19H30N6O
Molecular Weight358.49 g/mol
Exact Mass358.25
IUPAC Name3-methyl-5-[[3-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]-1,2-oxazole
SMILESCc1cc(CN2CCCC(c3nnc(CN4CCCCC4)n3C)C2)on1
InChIInChI=1S/C19H30N6O/c1-15-11-17(26-22-15)13-25-10-6-7-16(12-25)19-21-20-18(23(19)2)14-24-8-4-3-5-9-24/h11,16H,3-10,12-14H2,1-2H3
InChIKeyVLZSJQRLPQJYPA-UHFFFAOYSA-N
XLogP2.48
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[[3-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]-1,2-oxazole?
The IUPAC name of 3-methyl-5-[[3-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]-1,2-oxazole (CID 70749973) is 3-methyl-5-[[3-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]-1,2-oxazole.
What is the SMILES notation for 3-methyl-5-[[3-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]-1,2-oxazole?
The canonical SMILES for 3-methyl-5-[[3-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]-1,2-oxazole is Cc1cc(CN2CCCC(c3nnc(CN4CCCCC4)n3C)C2)on1.
What is the InChIKey of 3-methyl-5-[[3-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]-1,2-oxazole?
The InChIKey is VLZSJQRLPQJYPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N6O/c1-15-11-17(26-22-15)13-25-10-6-7-16(12-25)19-21-20-18(23(19)2)14-24-8-4-3-5-9-24/h11,16H,3-10,12-14H2,1-2H3.
What are the key properties of 3-methyl-5-[[3-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]-1,2-oxazole?
3-methyl-5-[[3-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]-1,2-oxazole has a molecular weight of 358.49 g/mol, XLogP of 2.48, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[[3-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]-1,2-oxazole is sourced from PubChem (CID 70749973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).