3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]propan-1-one

C19H28N4O2 — CID 56724022

IUPAC3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]propan-1-one
SMILESCCc1nccn1CC1CCN(C(=O)CCc2c(C)noc2C)CC1
InChIInChI=1S/C19H28N4O2/c1-4-18-20-9-12-23(18)13-16-7-10-22(11-8-16)19(24)6-5-17-14(2)21-25-15(17)3/h9,12,16H,4-8,10-11,13H2,1-3H3
InChIKeyQMQAWDDBRLSSGV-UHFFFAOYSA-N
MW344.46 g/mol
LogP2.92
Rot. Bonds6

About 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]propan-1-one

3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]propan-1-one (PubChem CID 56724022) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]propan-1-one
PubChem CID56724022
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]propan-1-one
SMILESCCc1nccn1CC1CCN(C(=O)CCc2c(C)noc2C)CC1
InChIInChI=1S/C19H28N4O2/c1-4-18-20-9-12-23(18)13-16-7-10-22(11-8-16)19(24)6-5-17-14(2)21-25-15(17)3/h9,12,16H,4-8,10-11,13H2,1-3H3
InChIKeyQMQAWDDBRLSSGV-UHFFFAOYSA-N
XLogP2.92
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]propan-1-one?
The IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]propan-1-one (CID 56724022) is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]propan-1-one is CCc1nccn1CC1CCN(C(=O)CCc2c(C)noc2C)CC1.
What is the InChIKey of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]propan-1-one?
The InChIKey is QMQAWDDBRLSSGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-4-18-20-9-12-23(18)13-16-7-10-22(11-8-16)19(24)6-5-17-14(2)21-25-15(17)3/h9,12,16H,4-8,10-11,13H2,1-3H3.
What are the key properties of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]propan-1-one?
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]propan-1-one has a molecular weight of 344.46 g/mol, XLogP of 2.92, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 56724022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).