[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-pyrrolidin-2-ylmethanone

C15H24N4O2 — CID 110876204

IUPAC[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-pyrrolidin-2-ylmethanone
SMILESCc1noc(C)c1CN1CCN(C(=O)C2CCCN2)CC1
InChIInChI=1S/C15H24N4O2/c1-11-13(12(2)21-17-11)10-18-6-8-19(9-7-18)15(20)14-4-3-5-16-14/h14,16H,3-10H2,1-2H3
InChIKeyCBZQCSZPYNKEEQ-UHFFFAOYSA-N
MW292.38 g/mol
LogP0.69
Rot. Bonds3

About [4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-pyrrolidin-2-ylmethanone

[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-pyrrolidin-2-ylmethanone (PubChem CID 110876204) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is [4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-pyrrolidin-2-ylmethanone.

Molecular Properties

Compound Name[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-pyrrolidin-2-ylmethanone
PubChem CID110876204
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-pyrrolidin-2-ylmethanone
SMILESCc1noc(C)c1CN1CCN(C(=O)C2CCCN2)CC1
InChIInChI=1S/C15H24N4O2/c1-11-13(12(2)21-17-11)10-18-6-8-19(9-7-18)15(20)14-4-3-5-16-14/h14,16H,3-10H2,1-2H3
InChIKeyCBZQCSZPYNKEEQ-UHFFFAOYSA-N
XLogP0.69
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-pyrrolidin-2-ylmethanone?
The IUPAC name of [4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-pyrrolidin-2-ylmethanone (CID 110876204) is [4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-pyrrolidin-2-ylmethanone.
What is the SMILES notation for [4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-pyrrolidin-2-ylmethanone?
The canonical SMILES for [4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-pyrrolidin-2-ylmethanone is Cc1noc(C)c1CN1CCN(C(=O)C2CCCN2)CC1.
What is the InChIKey of [4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-pyrrolidin-2-ylmethanone?
The InChIKey is CBZQCSZPYNKEEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-11-13(12(2)21-17-11)10-18-6-8-19(9-7-18)15(20)14-4-3-5-16-14/h14,16H,3-10H2,1-2H3.
What are the key properties of [4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-pyrrolidin-2-ylmethanone?
[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-pyrrolidin-2-ylmethanone has a molecular weight of 292.38 g/mol, XLogP of 0.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-pyrrolidin-2-ylmethanone is sourced from PubChem (CID 110876204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).