5-methyl-4-[(3-methylpiperazin-1-yl)methyl]-2-thiophen-2-yl-1,3-oxazole

C14H19N3OS — CID 65448292

IUPAC5-methyl-4-[(3-methylpiperazin-1-yl)methyl]-2-thiophen-2-yl-1,3-oxazole
SMILESCc1oc(-c2cccs2)nc1CN1CCNC(C)C1
InChIInChI=1S/C14H19N3OS/c1-10-8-17(6-5-15-10)9-12-11(2)18-14(16-12)13-4-3-7-19-13/h3-4,7,10,15H,5-6,8-9H2,1-2H3
InChIKeyRNLJLHBBJXSGIX-UHFFFAOYSA-N
MW277.39 g/mol
LogP2.51
Rot. Bonds3

About 5-methyl-4-[(3-methylpiperazin-1-yl)methyl]-2-thiophen-2-yl-1,3-oxazole

5-methyl-4-[(3-methylpiperazin-1-yl)methyl]-2-thiophen-2-yl-1,3-oxazole (PubChem CID 65448292) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is 5-methyl-4-[(3-methylpiperazin-1-yl)methyl]-2-thiophen-2-yl-1,3-oxazole.

Molecular Properties

Compound Name5-methyl-4-[(3-methylpiperazin-1-yl)methyl]-2-thiophen-2-yl-1,3-oxazole
PubChem CID65448292
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC Name5-methyl-4-[(3-methylpiperazin-1-yl)methyl]-2-thiophen-2-yl-1,3-oxazole
SMILESCc1oc(-c2cccs2)nc1CN1CCNC(C)C1
InChIInChI=1S/C14H19N3OS/c1-10-8-17(6-5-15-10)9-12-11(2)18-14(16-12)13-4-3-7-19-13/h3-4,7,10,15H,5-6,8-9H2,1-2H3
InChIKeyRNLJLHBBJXSGIX-UHFFFAOYSA-N
XLogP2.51
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2,5-dimethylpiperazin-1-yl)methyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole
CID 64980669
(2R,6S)-2,6-dimethyl-4-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]morpholine
CID 26384790
3-methyl-1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-amine
CID 79868555
(3S)-1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]pyrrolidin-3-amine
CID 81491549
1-(3-methylpiperazin-1-yl)-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethanone;dihydrochloride
CID 119580049
4-[[(3R)-3-(methoxymethyl)piperidin-1-yl]methyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole
CID 42382192
2-(3-chlorophenyl)-5-methyl-4-[[(3R)-3-methylpiperazin-1-yl]methyl]-1,3-oxazole
CID 95216234
2-(4-methoxynaphthalen-1-yl)-5-methyl-4-[(3-methylpiperazin-1-yl)methyl]-1,3-oxazole
CID 56739301
2-[(2S)-4-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1-propan-2-ylpiperazin-2-yl]ethanol
CID 30725006
N-[[1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]ethanamine;hydrochloride
CID 119928180
[3-methyl-1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]pyrrolidin-2-yl]methanol
CID 102788849
4-[[4-(2-methoxyethoxy)piperidin-1-yl]methyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole
CID 42379670

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[(3-methylpiperazin-1-yl)methyl]-2-thiophen-2-yl-1,3-oxazole?
The IUPAC name of 5-methyl-4-[(3-methylpiperazin-1-yl)methyl]-2-thiophen-2-yl-1,3-oxazole (CID 65448292) is 5-methyl-4-[(3-methylpiperazin-1-yl)methyl]-2-thiophen-2-yl-1,3-oxazole.
What is the SMILES notation for 5-methyl-4-[(3-methylpiperazin-1-yl)methyl]-2-thiophen-2-yl-1,3-oxazole?
The canonical SMILES for 5-methyl-4-[(3-methylpiperazin-1-yl)methyl]-2-thiophen-2-yl-1,3-oxazole is Cc1oc(-c2cccs2)nc1CN1CCNC(C)C1.
What is the InChIKey of 5-methyl-4-[(3-methylpiperazin-1-yl)methyl]-2-thiophen-2-yl-1,3-oxazole?
The InChIKey is RNLJLHBBJXSGIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-10-8-17(6-5-15-10)9-12-11(2)18-14(16-12)13-4-3-7-19-13/h3-4,7,10,15H,5-6,8-9H2,1-2H3.
What are the key properties of 5-methyl-4-[(3-methylpiperazin-1-yl)methyl]-2-thiophen-2-yl-1,3-oxazole?
5-methyl-4-[(3-methylpiperazin-1-yl)methyl]-2-thiophen-2-yl-1,3-oxazole has a molecular weight of 277.39 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[(3-methylpiperazin-1-yl)methyl]-2-thiophen-2-yl-1,3-oxazole is sourced from PubChem (CID 65448292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).