N-[(2,2-difluorocyclopentyl)methyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide

C12H15F2N3O2 — CID 128594897

IUPACN-[(2,2-difluorocyclopentyl)methyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
SMILESO=C(NCC1CCCC1(F)F)c1cc2n(n1)CCO2
InChIInChI=1S/C12H15F2N3O2/c13-12(14)3-1-2-8(12)7-15-11(18)9-6-10-17(16-9)4-5-19-10/h6,8H,1-5,7H2,(H,15,18)
InChIKeyKSRYPWQPPPHEOG-UHFFFAOYSA-N
MW271.27 g/mol
LogP1.44
Rot. Bonds3

About N-[(2,2-difluorocyclopentyl)methyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide

N-[(2,2-difluorocyclopentyl)methyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide (PubChem CID 128594897) has the molecular formula C12H15F2N3O2 and a molecular weight of 271.27 g/mol. Its IUPAC name is N-[(2,2-difluorocyclopentyl)methyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide.

Molecular Properties

Compound NameN-[(2,2-difluorocyclopentyl)methyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
PubChem CID128594897
Molecular FormulaC12H15F2N3O2
Molecular Weight271.27 g/mol
Exact Mass271.11
IUPAC NameN-[(2,2-difluorocyclopentyl)methyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
SMILESO=C(NCC1CCCC1(F)F)c1cc2n(n1)CCO2
InChIInChI=1S/C12H15F2N3O2/c13-12(14)3-1-2-8(12)7-15-11(18)9-6-10-17(16-9)4-5-19-10/h6,8H,1-5,7H2,(H,15,18)
InChIKeyKSRYPWQPPPHEOG-UHFFFAOYSA-N
XLogP1.44
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(trifluoromethyl)cyclohexyl]methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
CID 132296283
N-[(1R)-1-cyclohexyl-2,2-difluoroethyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
CID 164632353
2-(Difluoromethoxymethyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
CID 167414132
2-[2-(Cyclopropylmethoxy)-1,1-difluoroethyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
CID 167414258
2-[2-(2,2-Difluoroethoxy)ethyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
CID 167414269
2-[2-[[1-(Trifluoromethyl)cyclopropyl]methoxy]ethyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
CID 167414272
N-[[1-(dimethylamino)cyclopentyl]methyl]-7-fluoro-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
CID 91960082
1-(7-fluoro-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carbonyl)-N-propan-2-ylpiperidine-4-carboxamide
CID 91960092
7-fluoro-N-(2-methylpropyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
CID 91960114
7-fluoro-N-pentan-2-yl-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
CID 91960128
1-(2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carbonyl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 126808621
N-(2-fluorocyclopentyl)-5H,6H,7H-pyrazolo[3,2-b][1,3]oxazine-2-carboxamide
CID 126856429

Frequently Asked Questions

What is the IUPAC name of N-[(2,2-difluorocyclopentyl)methyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide?
The IUPAC name of N-[(2,2-difluorocyclopentyl)methyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide (CID 128594897) is N-[(2,2-difluorocyclopentyl)methyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide.
What is the SMILES notation for N-[(2,2-difluorocyclopentyl)methyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide?
The canonical SMILES for N-[(2,2-difluorocyclopentyl)methyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide is O=C(NCC1CCCC1(F)F)c1cc2n(n1)CCO2.
What is the InChIKey of N-[(2,2-difluorocyclopentyl)methyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide?
The InChIKey is KSRYPWQPPPHEOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2N3O2/c13-12(14)3-1-2-8(12)7-15-11(18)9-6-10-17(16-9)4-5-19-10/h6,8H,1-5,7H2,(H,15,18).
What are the key properties of N-[(2,2-difluorocyclopentyl)methyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide?
N-[(2,2-difluorocyclopentyl)methyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide has a molecular weight of 271.27 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2-difluorocyclopentyl)methyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide is sourced from PubChem (CID 128594897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).