5-methyl-4-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1,2-oxazole

C15H20N4O — CID 121174204

IUPAC5-methyl-4-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1,2-oxazole
SMILESCc1oncc1CN1CCN(Cc2ccccn2)CC1
InChIInChI=1S/C15H20N4O/c1-13-14(10-17-20-13)11-18-6-8-19(9-7-18)12-15-4-2-3-5-16-15/h2-5,10H,6-9,11-12H2,1H3
InChIKeyRLSDCABHBKTTRE-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.70
Rot. Bonds4

About 5-methyl-4-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1,2-oxazole

5-methyl-4-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1,2-oxazole (PubChem CID 121174204) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 5-methyl-4-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1,2-oxazole.

Molecular Properties

Compound Name5-methyl-4-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1,2-oxazole
PubChem CID121174204
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name5-methyl-4-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1,2-oxazole
SMILESCc1oncc1CN1CCN(Cc2ccccn2)CC1
InChIInChI=1S/C15H20N4O/c1-13-14(10-17-20-13)11-18-6-8-19(9-7-18)12-15-4-2-3-5-16-15/h2-5,10H,6-9,11-12H2,1H3
InChIKeyRLSDCABHBKTTRE-UHFFFAOYSA-N
XLogP1.70
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

8-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]quinoline
CID 30385370
1-phenyl-4-(pyridin-2-ylmethyl)piperazine
CID 1090338
1-(2-methylprop-2-enyl)-4-(pyridin-2-ylmethyl)piperazine
CID 134055422
1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanol
CID 141230440
3-methyl-5-[2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole
CID 71924549
5-methyl-2,4-bis[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyrimidine
CID 133349095
1-(pyridin-2-ylmethyl)-4-(2,2,2-trifluoroethyl)piperazine
CID 171700809
ethane;1-(pyridin-2-ylmethyl)-1,4,7,10-tetrazacyclododecane
CID 171786933
methanamine;1-(pyridin-2-ylmethyl)piperazine
CID 142253020
1-[(2-fluorophenyl)methyl]-4-(pyridin-2-ylmethyl)piperazine;oxalic acid
CID 2926624
piperazine;1-(pyridin-2-ylmethyl)piperazine
CID 174820345
1-benzyl-4-[(5-methyl-1,2-oxazol-4-yl)methyl]piperazin-2-one
CID 154575642

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1,2-oxazole?
The IUPAC name of 5-methyl-4-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1,2-oxazole (CID 121174204) is 5-methyl-4-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1,2-oxazole.
What is the SMILES notation for 5-methyl-4-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1,2-oxazole?
The canonical SMILES for 5-methyl-4-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1,2-oxazole is Cc1oncc1CN1CCN(Cc2ccccn2)CC1.
What is the InChIKey of 5-methyl-4-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1,2-oxazole?
The InChIKey is RLSDCABHBKTTRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-13-14(10-17-20-13)11-18-6-8-19(9-7-18)12-15-4-2-3-5-16-15/h2-5,10H,6-9,11-12H2,1H3.
What are the key properties of 5-methyl-4-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1,2-oxazole?
5-methyl-4-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1,2-oxazole has a molecular weight of 272.35 g/mol, XLogP of 1.70, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1,2-oxazole is sourced from PubChem (CID 121174204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).