(2,4-dimethyl-1,3-oxazol-5-yl)-[4-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone

C19H28N6O2 — CID 70748460

IUPAC(2,4-dimethyl-1,3-oxazol-5-yl)-[4-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone
SMILESCc1nc(C)c(C(=O)N2CCC(c3nnc(CN4CCCC4)n3C)CC2)o1
InChIInChI=1S/C19H28N6O2/c1-13-17(27-14(2)20-13)19(26)25-10-6-15(7-11-25)18-22-21-16(23(18)3)12-24-8-4-5-9-24/h15H,4-12H2,1-3H3
InChIKeyNSYUQWLQLQBAKL-UHFFFAOYSA-N
MW372.47 g/mol
LogP2.04
Rot. Bonds4

About (2,4-dimethyl-1,3-oxazol-5-yl)-[4-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone

(2,4-dimethyl-1,3-oxazol-5-yl)-[4-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone (PubChem CID 70748460) has the molecular formula C19H28N6O2 and a molecular weight of 372.47 g/mol. Its IUPAC name is (2,4-dimethyl-1,3-oxazol-5-yl)-[4-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2,4-dimethyl-1,3-oxazol-5-yl)-[4-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone
PubChem CID70748460
Molecular FormulaC19H28N6O2
Molecular Weight372.47 g/mol
Exact Mass372.23
IUPAC Name(2,4-dimethyl-1,3-oxazol-5-yl)-[4-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone
SMILESCc1nc(C)c(C(=O)N2CCC(c3nnc(CN4CCCC4)n3C)CC2)o1
InChIInChI=1S/C19H28N6O2/c1-13-17(27-14(2)20-13)19(26)25-10-6-15(7-11-25)18-22-21-16(23(18)3)12-24-8-4-5-9-24/h15H,4-12H2,1-3H3
InChIKeyNSYUQWLQLQBAKL-UHFFFAOYSA-N
XLogP2.04
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2,4-dimethyl-1,3-oxazol-5-yl)-[4-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone?
The IUPAC name of (2,4-dimethyl-1,3-oxazol-5-yl)-[4-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone (CID 70748460) is (2,4-dimethyl-1,3-oxazol-5-yl)-[4-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (2,4-dimethyl-1,3-oxazol-5-yl)-[4-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone?
The canonical SMILES for (2,4-dimethyl-1,3-oxazol-5-yl)-[4-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone is Cc1nc(C)c(C(=O)N2CCC(c3nnc(CN4CCCC4)n3C)CC2)o1.
What is the InChIKey of (2,4-dimethyl-1,3-oxazol-5-yl)-[4-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone?
The InChIKey is NSYUQWLQLQBAKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O2/c1-13-17(27-14(2)20-13)19(26)25-10-6-15(7-11-25)18-22-21-16(23(18)3)12-24-8-4-5-9-24/h15H,4-12H2,1-3H3.
What are the key properties of (2,4-dimethyl-1,3-oxazol-5-yl)-[4-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone?
(2,4-dimethyl-1,3-oxazol-5-yl)-[4-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone has a molecular weight of 372.47 g/mol, XLogP of 2.04, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethyl-1,3-oxazol-5-yl)-[4-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 70748460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).