(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone

C13H19N5O2 — CID 90647695

IUPAC(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
SMILESCCC1=NOC(C(=O)N2CCC(c3ncn[nH]3)CC2)C1
InChIInChI=1S/C13H19N5O2/c1-2-10-7-11(20-17-10)13(19)18-5-3-9(4-6-18)12-14-8-15-16-12/h8-9,11H,2-7H2,1H3,(H,14,15,16)
InChIKeyJNMFPPVGKHGFPX-UHFFFAOYSA-N
MW277.33 g/mol
LogP1.07
Rot. Bonds3

About (3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone

(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone (PubChem CID 90647695) has the molecular formula C13H19N5O2 and a molecular weight of 277.33 g/mol. Its IUPAC name is (3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
PubChem CID90647695
Molecular FormulaC13H19N5O2
Molecular Weight277.33 g/mol
Exact Mass277.15
IUPAC Name(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
SMILESCCC1=NOC(C(=O)N2CCC(c3ncn[nH]3)CC2)C1
InChIInChI=1S/C13H19N5O2/c1-2-10-7-11(20-17-10)13(19)18-5-3-9(4-6-18)12-14-8-15-16-12/h8-9,11H,2-7H2,1H3,(H,14,15,16)
InChIKeyJNMFPPVGKHGFPX-UHFFFAOYSA-N
XLogP1.07
TPSA83.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone?
The IUPAC name of (3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone (CID 90647695) is (3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone?
The canonical SMILES for (3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone is CCC1=NOC(C(=O)N2CCC(c3ncn[nH]3)CC2)C1.
What is the InChIKey of (3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone?
The InChIKey is JNMFPPVGKHGFPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2/c1-2-10-7-11(20-17-10)13(19)18-5-3-9(4-6-18)12-14-8-15-16-12/h8-9,11H,2-7H2,1H3,(H,14,15,16).
What are the key properties of (3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone?
(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone has a molecular weight of 277.33 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 90647695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).