3-methyl-5-[[4-(quinolin-8-ylmethyl)piperazin-1-yl]methyl]-1,2-oxazole

C19H22N4O — CID 32742377

IUPAC3-methyl-5-[[4-(quinolin-8-ylmethyl)piperazin-1-yl]methyl]-1,2-oxazole
SMILESCc1cc(CN2CCN(Cc3cccc4cccnc34)CC2)on1
InChIInChI=1S/C19H22N4O/c1-15-12-18(24-21-15)14-23-10-8-22(9-11-23)13-17-5-2-4-16-6-3-7-20-19(16)17/h2-7,12H,8-11,13-14H2,1H3
InChIKeyVUOXXXXPCRAQGR-UHFFFAOYSA-N
MW322.41 g/mol
LogP2.85
Rot. Bonds4

About 3-methyl-5-[[4-(quinolin-8-ylmethyl)piperazin-1-yl]methyl]-1,2-oxazole

3-methyl-5-[[4-(quinolin-8-ylmethyl)piperazin-1-yl]methyl]-1,2-oxazole (PubChem CID 32742377) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is 3-methyl-5-[[4-(quinolin-8-ylmethyl)piperazin-1-yl]methyl]-1,2-oxazole.

Molecular Properties

Compound Name3-methyl-5-[[4-(quinolin-8-ylmethyl)piperazin-1-yl]methyl]-1,2-oxazole
PubChem CID32742377
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name3-methyl-5-[[4-(quinolin-8-ylmethyl)piperazin-1-yl]methyl]-1,2-oxazole
SMILESCc1cc(CN2CCN(Cc3cccc4cccnc34)CC2)on1
InChIInChI=1S/C19H22N4O/c1-15-12-18(24-21-15)14-23-10-8-22(9-11-23)13-17-5-2-4-16-6-3-7-20-19(16)17/h2-7,12H,8-11,13-14H2,1H3
InChIKeyVUOXXXXPCRAQGR-UHFFFAOYSA-N
XLogP2.85
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-ethyl-5-[[4-(quinolin-8-ylmethyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 56811286
8-(piperazin-1-ylmethyl)quinoline;dihydrochloride
CID 82025621
8-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]quinoline
CID 30385370
3,5-dimethyl-4-[4-(quinolin-8-ylmethyl)piperazin-1-yl]sulfonyl-1,2-oxazole
CID 16621991
5-cyclopropyl-3-[[4-(quinolin-8-ylmethyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 126806999
8-[(4-pyridin-2-ylpiperazin-1-yl)methyl]quinoline
CID 17451460
8-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]quinoline
CID 18168047
8-[(5-methyl-1,4-diazepan-1-yl)methyl]quinoline
CID 81423173
N,N-dimethyl-4-(quinolin-8-ylmethyl)piperazine-1-sulfonamide
CID 34787759
8-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]quinoline
CID 18131319
1-[[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methyl]naphthalen-2-ol
CID 30139419
8-[[4-[(5-methoxy-3-pyridinyl)methyl]piperazin-1-yl]methyl]quinoline
CID 126813364

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[[4-(quinolin-8-ylmethyl)piperazin-1-yl]methyl]-1,2-oxazole?
The IUPAC name of 3-methyl-5-[[4-(quinolin-8-ylmethyl)piperazin-1-yl]methyl]-1,2-oxazole (CID 32742377) is 3-methyl-5-[[4-(quinolin-8-ylmethyl)piperazin-1-yl]methyl]-1,2-oxazole.
What is the SMILES notation for 3-methyl-5-[[4-(quinolin-8-ylmethyl)piperazin-1-yl]methyl]-1,2-oxazole?
The canonical SMILES for 3-methyl-5-[[4-(quinolin-8-ylmethyl)piperazin-1-yl]methyl]-1,2-oxazole is Cc1cc(CN2CCN(Cc3cccc4cccnc34)CC2)on1.
What is the InChIKey of 3-methyl-5-[[4-(quinolin-8-ylmethyl)piperazin-1-yl]methyl]-1,2-oxazole?
The InChIKey is VUOXXXXPCRAQGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c1-15-12-18(24-21-15)14-23-10-8-22(9-11-23)13-17-5-2-4-16-6-3-7-20-19(16)17/h2-7,12H,8-11,13-14H2,1H3.
What are the key properties of 3-methyl-5-[[4-(quinolin-8-ylmethyl)piperazin-1-yl]methyl]-1,2-oxazole?
3-methyl-5-[[4-(quinolin-8-ylmethyl)piperazin-1-yl]methyl]-1,2-oxazole has a molecular weight of 322.41 g/mol, XLogP of 2.85, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[[4-(quinolin-8-ylmethyl)piperazin-1-yl]methyl]-1,2-oxazole is sourced from PubChem (CID 32742377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).