N-[[1-(dimethylamino)cyclopentyl]methyl]-7-fluoro-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide

C14H21FN4O2 — CID 91960082

IUPACN-[[1-(dimethylamino)cyclopentyl]methyl]-7-fluoro-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
SMILESCN(C)C1(CNC(=O)c2nn3c(c2F)OCC3)CCCC1
InChIInChI=1S/C14H21FN4O2/c1-18(2)14(5-3-4-6-14)9-16-12(20)11-10(15)13-19(17-11)7-8-21-13/h3-9H2,1-2H3,(H,16,20)
InChIKeyHIJPZUTUXTXDIS-UHFFFAOYSA-N
MW296.35 g/mol
LogP1.02
Rot. Bonds4

About N-[[1-(dimethylamino)cyclopentyl]methyl]-7-fluoro-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide

N-[[1-(dimethylamino)cyclopentyl]methyl]-7-fluoro-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide (PubChem CID 91960082) has the molecular formula C14H21FN4O2 and a molecular weight of 296.35 g/mol. Its IUPAC name is N-[[1-(dimethylamino)cyclopentyl]methyl]-7-fluoro-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide.

Molecular Properties

Compound NameN-[[1-(dimethylamino)cyclopentyl]methyl]-7-fluoro-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
PubChem CID91960082
Molecular FormulaC14H21FN4O2
Molecular Weight296.35 g/mol
Exact Mass296.16
IUPAC NameN-[[1-(dimethylamino)cyclopentyl]methyl]-7-fluoro-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
SMILESCN(C)C1(CNC(=O)c2nn3c(c2F)OCC3)CCCC1
InChIInChI=1S/C14H21FN4O2/c1-18(2)14(5-3-4-6-14)9-16-12(20)11-10(15)13-19(17-11)7-8-21-13/h3-9H2,1-2H3,(H,16,20)
InChIKeyHIJPZUTUXTXDIS-UHFFFAOYSA-N
XLogP1.02
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R)-1-cyclohexyl-2,2-difluoroethyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
CID 164632353
7-fluoro-N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
CID 91960056
7-fluoro-N-(1-methylpiperidin-4-yl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
CID 91960058
7-fluoro-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
CID 91960065
7-fluoro-N-(3-hydroxy-4,4-dimethylpentyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
CID 91960072
7-fluoro-N-(1-prop-2-enylpiperidin-4-yl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
CID 91960085
7-fluoro-N-[3-(2-methoxyethylamino)-3-oxopropyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
CID 91960086
7-fluoro-N-[3-oxo-3-(propan-2-ylamino)propyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
CID 91960089
N-cyclopropyl-7-fluoro-N-(piperidine-3-carbonyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
CID 91960090
1-(7-fluoro-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carbonyl)-N-propan-2-ylpiperidine-3-carboxamide
CID 91960091
1-(7-fluoro-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carbonyl)-N-propan-2-ylpiperidine-4-carboxamide
CID 91960092
(7-Fluoro-2,3-dihydropyrazolo[5,1-b][1,3]oxazol-6-yl)-(2-methylpiperidin-1-yl)methanone
CID 91960093

Frequently Asked Questions

What is the IUPAC name of N-[[1-(dimethylamino)cyclopentyl]methyl]-7-fluoro-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide?
The IUPAC name of N-[[1-(dimethylamino)cyclopentyl]methyl]-7-fluoro-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide (CID 91960082) is N-[[1-(dimethylamino)cyclopentyl]methyl]-7-fluoro-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide.
What is the SMILES notation for N-[[1-(dimethylamino)cyclopentyl]methyl]-7-fluoro-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide?
The canonical SMILES for N-[[1-(dimethylamino)cyclopentyl]methyl]-7-fluoro-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide is CN(C)C1(CNC(=O)c2nn3c(c2F)OCC3)CCCC1.
What is the InChIKey of N-[[1-(dimethylamino)cyclopentyl]methyl]-7-fluoro-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide?
The InChIKey is HIJPZUTUXTXDIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN4O2/c1-18(2)14(5-3-4-6-14)9-16-12(20)11-10(15)13-19(17-11)7-8-21-13/h3-9H2,1-2H3,(H,16,20).
What are the key properties of N-[[1-(dimethylamino)cyclopentyl]methyl]-7-fluoro-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide?
N-[[1-(dimethylamino)cyclopentyl]methyl]-7-fluoro-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide has a molecular weight of 296.35 g/mol, XLogP of 1.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(dimethylamino)cyclopentyl]methyl]-7-fluoro-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide is sourced from PubChem (CID 91960082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).