5-methyl-2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-1,3-benzoxazole

C15H17N5OS — CID 91643350

IUPAC5-methyl-2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-1,3-benzoxazole
SMILESCc1ccc2oc(N3CCN(c4nc(C)ns4)CC3)nc2c1
InChIInChI=1S/C15H17N5OS/c1-10-3-4-13-12(9-10)17-14(21-13)19-5-7-20(8-6-19)15-16-11(2)18-22-15/h3-4,9H,5-8H2,1-2H3
InChIKeyRMGYKVZDIBKZPS-UHFFFAOYSA-N
MW315.40 g/mol
LogP2.62
Rot. Bonds2

About 5-methyl-2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-1,3-benzoxazole

5-methyl-2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-1,3-benzoxazole (PubChem CID 91643350) has the molecular formula C15H17N5OS and a molecular weight of 315.40 g/mol. Its IUPAC name is 5-methyl-2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-1,3-benzoxazole.

Molecular Properties

Compound Name5-methyl-2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-1,3-benzoxazole
PubChem CID91643350
Molecular FormulaC15H17N5OS
Molecular Weight315.40 g/mol
Exact Mass315.12
IUPAC Name5-methyl-2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-1,3-benzoxazole
SMILESCc1ccc2oc(N3CCN(c4nc(C)ns4)CC3)nc2c1
InChIInChI=1S/C15H17N5OS/c1-10-3-4-13-12(9-10)17-14(21-13)19-5-7-20(8-6-19)15-16-11(2)18-22-15/h3-4,9H,5-8H2,1-2H3
InChIKeyRMGYKVZDIBKZPS-UHFFFAOYSA-N
XLogP2.62
TPSA58.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-(2-fluorophenyl)piperazin-1-yl]-5-methyl-1,3-benzoxazole
CID 101403141
5-[[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120900128
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]methanone;dihydrochloride
CID 120800151
[2-(aminomethyl)-1,3-thiazol-4-yl]-[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]methanone;dihydrochloride
CID 119879941
2-[4-[(E)-3-(4-methoxyphenyl)prop-2-enyl]piperazin-1-yl]-5-methyl-1,3-benzoxazole
CID 50964782
2-[4-[(5-fluoro-2-pyridinyl)methyl]piperazin-1-yl]-5-methyl-1,3-benzoxazole
CID 122143987
3-[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]-1-piperazin-1-ylpropan-1-one;dihydrochloride
CID 120982695
[3-[[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 120752858
4-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]thieno[3,2-d]pyrimidine
CID 136527857
(3-amino-2-bicyclo[2.2.1]heptanyl)-[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]methanone;dihydrochloride
CID 119879911
2-[4-(1H-indazol-6-ylmethyl)piperazin-1-yl]-5-methyl-1,3-benzoxazole
CID 127720538
[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone;dihydrochloride
CID 120941290

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-1,3-benzoxazole?
The IUPAC name of 5-methyl-2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-1,3-benzoxazole (CID 91643350) is 5-methyl-2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-1,3-benzoxazole.
What is the SMILES notation for 5-methyl-2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-1,3-benzoxazole?
The canonical SMILES for 5-methyl-2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-1,3-benzoxazole is Cc1ccc2oc(N3CCN(c4nc(C)ns4)CC3)nc2c1.
What is the InChIKey of 5-methyl-2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-1,3-benzoxazole?
The InChIKey is RMGYKVZDIBKZPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5OS/c1-10-3-4-13-12(9-10)17-14(21-13)19-5-7-20(8-6-19)15-16-11(2)18-22-15/h3-4,9H,5-8H2,1-2H3.
What are the key properties of 5-methyl-2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-1,3-benzoxazole?
5-methyl-2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-1,3-benzoxazole has a molecular weight of 315.40 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-1,3-benzoxazole is sourced from PubChem (CID 91643350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).