1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one

C14H20N6O2 — CID 134036629

IUPAC1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one
SMILESCc1cc(CN2CCN(C(=O)CCn3cncn3)CC2)on1
InChIInChI=1S/C14H20N6O2/c1-12-8-13(22-17-12)9-18-4-6-19(7-5-18)14(21)2-3-20-11-15-10-16-20/h8,10-11H,2-7,9H2,1H3
InChIKeyDXKGRELWXBRGKJ-UHFFFAOYSA-N
MW304.35 g/mol
LogP0.31
Rot. Bonds5

About 1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one

1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one (PubChem CID 134036629) has the molecular formula C14H20N6O2 and a molecular weight of 304.35 g/mol. Its IUPAC name is 1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one.

Molecular Properties

Compound Name1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one
PubChem CID134036629
Molecular FormulaC14H20N6O2
Molecular Weight304.35 g/mol
Exact Mass304.16
IUPAC Name1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one
SMILESCc1cc(CN2CCN(C(=O)CCn3cncn3)CC2)on1
InChIInChI=1S/C14H20N6O2/c1-12-8-13(22-17-12)9-18-4-6-19(7-5-18)14(21)2-3-20-11-15-10-16-20/h8,10-11H,2-7,9H2,1H3
InChIKeyDXKGRELWXBRGKJ-UHFFFAOYSA-N
XLogP0.31
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 50.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one?
The IUPAC name of 1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one (CID 134036629) is 1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one.
What is the SMILES notation for 1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one?
The canonical SMILES for 1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one is Cc1cc(CN2CCN(C(=O)CCn3cncn3)CC2)on1.
What is the InChIKey of 1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one?
The InChIKey is DXKGRELWXBRGKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O2/c1-12-8-13(22-17-12)9-18-4-6-19(7-5-18)14(21)2-3-20-11-15-10-16-20/h8,10-11H,2-7,9H2,1H3.
What are the key properties of 1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one?
1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one has a molecular weight of 304.35 g/mol, XLogP of 0.31, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one is sourced from PubChem (CID 134036629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).