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

C15H24N6O2 — CID 56743115

IUPAC(3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl)-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone
SMILESCC(C)C1=NOC(C(=O)N2CCN(CCn3cncn3)CC2)C1
InChIInChI=1S/C15H24N6O2/c1-12(2)13-9-14(23-18-13)15(22)20-6-3-19(4-7-20)5-8-21-11-16-10-17-21/h10-12,14H,3-9H2,1-2H3
InChIKeyVBLQVQIAUWVZGX-UHFFFAOYSA-N
MW320.40 g/mol
LogP0.22
Rot. Bonds5

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

(3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl)-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone (PubChem CID 56743115) has the molecular formula C15H24N6O2 and a molecular weight of 320.40 g/mol. Its IUPAC name is (3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl)-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl)-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone
PubChem CID56743115
Molecular FormulaC15H24N6O2
Molecular Weight320.40 g/mol
Exact Mass320.20
IUPAC Name(3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl)-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone
SMILESCC(C)C1=NOC(C(=O)N2CCN(CCn3cncn3)CC2)C1
InChIInChI=1S/C15H24N6O2/c1-12(2)13-9-14(23-18-13)15(22)20-6-3-19(4-7-20)5-8-21-11-16-10-17-21/h10-12,14H,3-9H2,1-2H3
InChIKeyVBLQVQIAUWVZGX-UHFFFAOYSA-N
XLogP0.22
TPSA75.85 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 50.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl)-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone?
The IUPAC name of (3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl)-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone (CID 56743115) is (3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl)-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone.
What is the SMILES notation for (3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl)-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone?
The canonical SMILES for (3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl)-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone is CC(C)C1=NOC(C(=O)N2CCN(CCn3cncn3)CC2)C1.
What is the InChIKey of (3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl)-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone?
The InChIKey is VBLQVQIAUWVZGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N6O2/c1-12(2)13-9-14(23-18-13)15(22)20-6-3-19(4-7-20)5-8-21-11-16-10-17-21/h10-12,14H,3-9H2,1-2H3.
What are the key properties of (3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl)-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone?
(3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl)-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone has a molecular weight of 320.40 g/mol, XLogP of 0.22, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl)-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone is sourced from PubChem (CID 56743115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).