tert-butyl 4-[3-(6-fluoro-1-methylbenzimidazol-2-yl)-1,2,4-oxadiazol-5-yl]piperazine-1-carboxylate

C19H23FN6O3 — CID 123375859

IUPACtert-butyl 4-[3-(6-fluoro-1-methylbenzimidazol-2-yl)-1,2,4-oxadiazol-5-yl]piperazine-1-carboxylate
SMILESCn1c(-c2noc(N3CCN(C(=O)OC(C)(C)C)CC3)n2)nc2ccc(F)cc21
InChIInChI=1S/C19H23FN6O3/c1-19(2,3)28-18(27)26-9-7-25(8-10-26)17-22-15(23-29-17)16-21-13-6-5-12(20)11-14(13)24(16)4/h5-6,11H,7-10H2,1-4H3
InChIKeyQUSKEVOJRJZYDD-UHFFFAOYSA-N
MW402.43 g/mol
LogP2.82
Rot. Bonds2

About tert-butyl 4-[3-(6-fluoro-1-methylbenzimidazol-2-yl)-1,2,4-oxadiazol-5-yl]piperazine-1-carboxylate

tert-butyl 4-[3-(6-fluoro-1-methylbenzimidazol-2-yl)-1,2,4-oxadiazol-5-yl]piperazine-1-carboxylate (PubChem CID 123375859) has the molecular formula C19H23FN6O3 and a molecular weight of 402.43 g/mol. Its IUPAC name is tert-butyl 4-[3-(6-fluoro-1-methylbenzimidazol-2-yl)-1,2,4-oxadiazol-5-yl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[3-(6-fluoro-1-methylbenzimidazol-2-yl)-1,2,4-oxadiazol-5-yl]piperazine-1-carboxylate
PubChem CID123375859
Molecular FormulaC19H23FN6O3
Molecular Weight402.43 g/mol
Exact Mass402.18
IUPAC Nametert-butyl 4-[3-(6-fluoro-1-methylbenzimidazol-2-yl)-1,2,4-oxadiazol-5-yl]piperazine-1-carboxylate
SMILESCn1c(-c2noc(N3CCN(C(=O)OC(C)(C)C)CC3)n2)nc2ccc(F)cc21
InChIInChI=1S/C19H23FN6O3/c1-19(2,3)28-18(27)26-9-7-25(8-10-26)17-22-15(23-29-17)16-21-13-6-5-12(20)11-14(13)24(16)4/h5-6,11H,7-10H2,1-4H3
InChIKeyQUSKEVOJRJZYDD-UHFFFAOYSA-N
XLogP2.82
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.43
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze tert-butyl 4-[3-(6-fluoro-1-methylbenzimidazol-2-yl)-1,2,4-oxadiazol-5-yl]piperazine-1-carboxylate with MolForge

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Related Compounds

tert-butyl 4-(6-fluoroquinolin-4-yl)piperazine-1-carboxylate
CID 121318185
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CID 53396572
tert-butyl 4-(2,4-difluorophenyl)piperazine-1-carboxylate
CID 113079908
tert-butyl 4-[2-(5-fluoro-1,2,4-oxadiazol-3-yl)phenyl]piperazine-1-carboxylate
CID 66664074
7-fluoro-4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]quinoline-3-carboxylic acid
CID 69170614
tert-butyl 4-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]piperazine-1-carboxylate
CID 68776217
tert-butyl 4-(2-methyl-1,3-benzoxazol-6-yl)piperazine-1-carboxylate
CID 20785686
tert-butyl 3-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperazine-1-carbonyl]piperidine-1-carboxylate
CID 175941744
tert-butyl 4-[5-fluoro-2-(2-hydroxyethyl)phenyl]piperazine-1-carboxylate
CID 67593617
tert-butyl 4-(1,5-dimethylimidazol-2-yl)piperazine-1-carboxylate
CID 169219695
tert-butyl 4-[2-amino-6-(4-fluorophenyl)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]piperazine-1-carboxylate
CID 71519345
tert-butyl 3-[4-(7-fluoroquinolin-4-yl)piperazine-1-carbonyl]azetidine-1-carboxylate
CID 166110568

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[3-(6-fluoro-1-methylbenzimidazol-2-yl)-1,2,4-oxadiazol-5-yl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-[3-(6-fluoro-1-methylbenzimidazol-2-yl)-1,2,4-oxadiazol-5-yl]piperazine-1-carboxylate (CID 123375859) is tert-butyl 4-[3-(6-fluoro-1-methylbenzimidazol-2-yl)-1,2,4-oxadiazol-5-yl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[3-(6-fluoro-1-methylbenzimidazol-2-yl)-1,2,4-oxadiazol-5-yl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[3-(6-fluoro-1-methylbenzimidazol-2-yl)-1,2,4-oxadiazol-5-yl]piperazine-1-carboxylate is Cn1c(-c2noc(N3CCN(C(=O)OC(C)(C)C)CC3)n2)nc2ccc(F)cc21.
What is the InChIKey of tert-butyl 4-[3-(6-fluoro-1-methylbenzimidazol-2-yl)-1,2,4-oxadiazol-5-yl]piperazine-1-carboxylate?
The InChIKey is QUSKEVOJRJZYDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN6O3/c1-19(2,3)28-18(27)26-9-7-25(8-10-26)17-22-15(23-29-17)16-21-13-6-5-12(20)11-14(13)24(16)4/h5-6,11H,7-10H2,1-4H3.
What are the key properties of tert-butyl 4-[3-(6-fluoro-1-methylbenzimidazol-2-yl)-1,2,4-oxadiazol-5-yl]piperazine-1-carboxylate?
tert-butyl 4-[3-(6-fluoro-1-methylbenzimidazol-2-yl)-1,2,4-oxadiazol-5-yl]piperazine-1-carboxylate has a molecular weight of 402.43 g/mol, XLogP of 2.82, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[3-(6-fluoro-1-methylbenzimidazol-2-yl)-1,2,4-oxadiazol-5-yl]piperazine-1-carboxylate is sourced from PubChem (CID 123375859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).