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

C15H24N4O2 — CID 124697297

IUPAC[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-[(3S)-pyrrolidin-3-yl]methanone
SMILESCc1nc(CN2CCN(C(=O)[C@H]3CCNC3)CC2)oc1C
InChIInChI=1S/C15H24N4O2/c1-11-12(2)21-14(17-11)10-18-5-7-19(8-6-18)15(20)13-3-4-16-9-13/h13,16H,3-10H2,1-2H3/t13-/m0/s1
InChIKeyGJOHMXFKRANXEH-ZDUSSCGKSA-N
MW292.38 g/mol
LogP0.55
Rot. Bonds3

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

[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-[(3S)-pyrrolidin-3-yl]methanone (PubChem CID 124697297) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is [4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-[(3S)-pyrrolidin-3-yl]methanone.

Molecular Properties

Compound Name[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-[(3S)-pyrrolidin-3-yl]methanone
PubChem CID124697297
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-[(3S)-pyrrolidin-3-yl]methanone
SMILESCc1nc(CN2CCN(C(=O)[C@H]3CCNC3)CC2)oc1C
InChIInChI=1S/C15H24N4O2/c1-11-12(2)21-14(17-11)10-18-5-7-19(8-6-18)15(20)13-3-4-16-9-13/h13,16H,3-10H2,1-2H3/t13-/m0/s1
InChIKeyGJOHMXFKRANXEH-ZDUSSCGKSA-N
XLogP0.55
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 ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-[(3S)-pyrrolidin-3-yl]methanone?
The IUPAC name of [4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-[(3S)-pyrrolidin-3-yl]methanone (CID 124697297) is [4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-[(3S)-pyrrolidin-3-yl]methanone.
What is the SMILES notation for [4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-[(3S)-pyrrolidin-3-yl]methanone?
The canonical SMILES for [4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-[(3S)-pyrrolidin-3-yl]methanone is Cc1nc(CN2CCN(C(=O)[C@H]3CCNC3)CC2)oc1C.
What is the InChIKey of [4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-[(3S)-pyrrolidin-3-yl]methanone?
The InChIKey is GJOHMXFKRANXEH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-11-12(2)21-14(17-11)10-18-5-7-19(8-6-18)15(20)13-3-4-16-9-13/h13,16H,3-10H2,1-2H3/t13-/m0/s1.
What are the key properties of [4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-[(3S)-pyrrolidin-3-yl]methanone?
[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-[(3S)-pyrrolidin-3-yl]methanone has a molecular weight of 292.38 g/mol, XLogP of 0.55, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-[(3S)-pyrrolidin-3-yl]methanone is sourced from PubChem (CID 124697297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).