3-methyl-5-[[4-[(1S)-1-(5-methyl-1,3-oxazol-2-yl)ethyl]piperazin-1-yl]methyl]-1,2-oxazole

C15H22N4O2 — CID 164637307

IUPAC3-methyl-5-[[4-[(1S)-1-(5-methyl-1,3-oxazol-2-yl)ethyl]piperazin-1-yl]methyl]-1,2-oxazole
SMILESCc1cc(CN2CCN([C@@H](C)c3ncc(C)o3)CC2)on1
InChIInChI=1S/C15H22N4O2/c1-11-8-14(21-17-11)10-18-4-6-19(7-5-18)13(3)15-16-9-12(2)20-15/h8-9,13H,4-7,10H2,1-3H3/t13-/m0/s1
InChIKeyACCAPKBCJGMHIW-ZDUSSCGKSA-N
MW290.37 g/mol
LogP2.16
Rot. Bonds4

About 3-methyl-5-[[4-[(1S)-1-(5-methyl-1,3-oxazol-2-yl)ethyl]piperazin-1-yl]methyl]-1,2-oxazole

3-methyl-5-[[4-[(1S)-1-(5-methyl-1,3-oxazol-2-yl)ethyl]piperazin-1-yl]methyl]-1,2-oxazole (PubChem CID 164637307) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 3-methyl-5-[[4-[(1S)-1-(5-methyl-1,3-oxazol-2-yl)ethyl]piperazin-1-yl]methyl]-1,2-oxazole.

Molecular Properties

Compound Name3-methyl-5-[[4-[(1S)-1-(5-methyl-1,3-oxazol-2-yl)ethyl]piperazin-1-yl]methyl]-1,2-oxazole
PubChem CID164637307
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name3-methyl-5-[[4-[(1S)-1-(5-methyl-1,3-oxazol-2-yl)ethyl]piperazin-1-yl]methyl]-1,2-oxazole
SMILESCc1cc(CN2CCN([C@@H](C)c3ncc(C)o3)CC2)on1
InChIInChI=1S/C15H22N4O2/c1-11-8-14(21-17-11)10-18-4-6-19(7-5-18)13(3)15-16-9-12(2)20-15/h8-9,13H,4-7,10H2,1-3H3/t13-/m0/s1
InChIKeyACCAPKBCJGMHIW-ZDUSSCGKSA-N
XLogP2.16
TPSA58.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[[4-[(1S)-1-(5-methyl-1,3-oxazol-2-yl)ethyl]piperazin-1-yl]methyl]-1,2-oxazole?
The IUPAC name of 3-methyl-5-[[4-[(1S)-1-(5-methyl-1,3-oxazol-2-yl)ethyl]piperazin-1-yl]methyl]-1,2-oxazole (CID 164637307) is 3-methyl-5-[[4-[(1S)-1-(5-methyl-1,3-oxazol-2-yl)ethyl]piperazin-1-yl]methyl]-1,2-oxazole.
What is the SMILES notation for 3-methyl-5-[[4-[(1S)-1-(5-methyl-1,3-oxazol-2-yl)ethyl]piperazin-1-yl]methyl]-1,2-oxazole?
The canonical SMILES for 3-methyl-5-[[4-[(1S)-1-(5-methyl-1,3-oxazol-2-yl)ethyl]piperazin-1-yl]methyl]-1,2-oxazole is Cc1cc(CN2CCN([C@@H](C)c3ncc(C)o3)CC2)on1.
What is the InChIKey of 3-methyl-5-[[4-[(1S)-1-(5-methyl-1,3-oxazol-2-yl)ethyl]piperazin-1-yl]methyl]-1,2-oxazole?
The InChIKey is ACCAPKBCJGMHIW-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-11-8-14(21-17-11)10-18-4-6-19(7-5-18)13(3)15-16-9-12(2)20-15/h8-9,13H,4-7,10H2,1-3H3/t13-/m0/s1.
What are the key properties of 3-methyl-5-[[4-[(1S)-1-(5-methyl-1,3-oxazol-2-yl)ethyl]piperazin-1-yl]methyl]-1,2-oxazole?
3-methyl-5-[[4-[(1S)-1-(5-methyl-1,3-oxazol-2-yl)ethyl]piperazin-1-yl]methyl]-1,2-oxazole has a molecular weight of 290.37 g/mol, XLogP of 2.16, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[[4-[(1S)-1-(5-methyl-1,3-oxazol-2-yl)ethyl]piperazin-1-yl]methyl]-1,2-oxazole is sourced from PubChem (CID 164637307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).