N-(2-fluorocyclopentyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide

C12H16FN3O2 — CID 126856429

IUPACN-(2-fluorocyclopentyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
SMILESO=C(NC1CCCC1F)c1cc2n(n1)CCCO2
InChIInChI=1S/C12H16FN3O2/c13-8-3-1-4-9(8)14-12(17)10-7-11-16(15-10)5-2-6-18-11/h7-9H,1-6H2,(H,14,17)
InChIKeyAWSFMBFREINXPW-UHFFFAOYSA-N
MW253.28 g/mol
LogP1.29
Rot. Bonds2

About N-(2-fluorocyclopentyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide

N-(2-fluorocyclopentyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide (PubChem CID 126856429) has the molecular formula C12H16FN3O2 and a molecular weight of 253.28 g/mol. Its IUPAC name is N-(2-fluorocyclopentyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide.

Molecular Properties

Compound NameN-(2-fluorocyclopentyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
PubChem CID126856429
Molecular FormulaC12H16FN3O2
Molecular Weight253.28 g/mol
Exact Mass253.12
IUPAC NameN-(2-fluorocyclopentyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
SMILESO=C(NC1CCCC1F)c1cc2n(n1)CCCO2
InChIInChI=1S/C12H16FN3O2/c13-8-3-1-4-9(8)14-12(17)10-7-11-16(15-10)5-2-6-18-11/h7-9H,1-6H2,(H,14,17)
InChIKeyAWSFMBFREINXPW-UHFFFAOYSA-N
XLogP1.29
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.28
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
CID 71789296
ethyl 2-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamido)acetate
CID 71789299
N-(2-(cyclohex-1-en-1-yl)ethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
CID 71789301
N-(2-(ethylsulfonyl)ethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
CID 71789395
N-[(S)-5-oxo-3-pyrrolidinyl]-4-oxa-1,7a-diaza-6,7-dihydro-5H-indene-2-carboxamide
CID 97106797
6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
CID 71789350
ethyl 6-amino-5H,6H,7H-pyrazolo(3,2-b)(1,3)oxazine-2-carboxylate hydrochloride
CID 165652574
tert-butyl N-{2-formyl-5H,6H,7H-pyrazolo[3,2-b][1,3]oxazin-6-yl}carbamate
CID 165989805
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-5H,6H,7H-pyrazolo[3,2-b][1,3]oxazine-2-carboxamide
CID 71789274
ethyl 4-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamido)piperidine-1-carboxylate
CID 71789359
N-(2-oxotetrahydrothiophen-3-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
CID 71789362
N-((5-methyl-1,3,4-oxadiazol-2-yl)methyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
CID 71789379

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorocyclopentyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide?
The IUPAC name of N-(2-fluorocyclopentyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide (CID 126856429) is N-(2-fluorocyclopentyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide.
What is the SMILES notation for N-(2-fluorocyclopentyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide?
The canonical SMILES for N-(2-fluorocyclopentyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide is O=C(NC1CCCC1F)c1cc2n(n1)CCCO2.
What is the InChIKey of N-(2-fluorocyclopentyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide?
The InChIKey is AWSFMBFREINXPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN3O2/c13-8-3-1-4-9(8)14-12(17)10-7-11-16(15-10)5-2-6-18-11/h7-9H,1-6H2,(H,14,17).
What are the key properties of N-(2-fluorocyclopentyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide?
N-(2-fluorocyclopentyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide has a molecular weight of 253.28 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorocyclopentyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide is sourced from PubChem (CID 126856429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).