7-fluoro-N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide

C18H28FN5O2 — CID 91960056

IUPAC7-fluoro-N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
SMILESCN1CCN(C2(CNC(=O)c3nn4c(c3F)OCC4)CCCCC2)CC1
InChIInChI=1S/C18H28FN5O2/c1-22-7-9-23(10-8-22)18(5-3-2-4-6-18)13-20-16(25)15-14(19)17-24(21-15)11-12-26-17/h2-13H2,1H3,(H,20,25)
InChIKeyNVMDUYCPOVVGOC-UHFFFAOYSA-N
MW365.45 g/mol
LogP1.09
Rot. Bonds4

About 7-fluoro-N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide

7-fluoro-N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide (PubChem CID 91960056) has the molecular formula C18H28FN5O2 and a molecular weight of 365.45 g/mol. Its IUPAC name is 7-fluoro-N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide.

Molecular Properties

Compound Name7-fluoro-N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
PubChem CID91960056
Molecular FormulaC18H28FN5O2
Molecular Weight365.45 g/mol
Exact Mass365.22
IUPAC Name7-fluoro-N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
SMILESCN1CCN(C2(CNC(=O)c3nn4c(c3F)OCC4)CCCCC2)CC1
InChIInChI=1S/C18H28FN5O2/c1-22-7-9-23(10-8-22)18(5-3-2-4-6-18)13-20-16(25)15-14(19)17-24(21-15)11-12-26-17/h2-13H2,1H3,(H,20,25)
InChIKeyNVMDUYCPOVVGOC-UHFFFAOYSA-N
XLogP1.09
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.45
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide?
The IUPAC name of 7-fluoro-N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide (CID 91960056) is 7-fluoro-N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide.
What is the SMILES notation for 7-fluoro-N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide?
The canonical SMILES for 7-fluoro-N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide is CN1CCN(C2(CNC(=O)c3nn4c(c3F)OCC4)CCCCC2)CC1.
What is the InChIKey of 7-fluoro-N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide?
The InChIKey is NVMDUYCPOVVGOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28FN5O2/c1-22-7-9-23(10-8-22)18(5-3-2-4-6-18)13-20-16(25)15-14(19)17-24(21-15)11-12-26-17/h2-13H2,1H3,(H,20,25).
What are the key properties of 7-fluoro-N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide?
7-fluoro-N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide has a molecular weight of 365.45 g/mol, XLogP of 1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide is sourced from PubChem (CID 91960056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).