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

C12H16FN3O2 — CID 154883616

IUPACN-[(1R,2R)-2-fluorocyclopentyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
SMILESO=C(N[C@@H]1CCC[C@H]1F)c1cnn2c1OCCC2
InChIInChI=1S/C12H16FN3O2/c13-9-3-1-4-10(9)15-11(17)8-7-14-16-5-2-6-18-12(8)16/h7,9-10H,1-6H2,(H,15,17)/t9-,10-/m1/s1
InChIKeyIXPCDCGZFDAJGY-NXEZZACHSA-N
MW253.28 g/mol
LogP1.29
Rot. Bonds2

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

N-[(1R,2R)-2-fluorocyclopentyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide (PubChem CID 154883616) has the molecular formula C12H16FN3O2 and a molecular weight of 253.28 g/mol. Its IUPAC name is N-[(1R,2R)-2-fluorocyclopentyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-fluorocyclopentyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
PubChem CID154883616
Molecular FormulaC12H16FN3O2
Molecular Weight253.28 g/mol
Exact Mass253.12
IUPAC NameN-[(1R,2R)-2-fluorocyclopentyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
SMILESO=C(N[C@@H]1CCC[C@H]1F)c1cnn2c1OCCC2
InChIInChI=1S/C12H16FN3O2/c13-9-3-1-4-10(9)15-11(17)8-7-14-16-5-2-6-18-12(8)16/h7,9-10H,1-6H2,(H,15,17)/t9-,10-/m1/s1
InChIKeyIXPCDCGZFDAJGY-NXEZZACHSA-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,N-dimethyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
CID 71789423
N-(1,3-dihydroxy-2-methylpropan-2-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
CID 71789433
(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)(piperidin-1-yl)methanone
CID 71789424
N-cyclopentyl-3-methoxy-1-methyl-1H-pyrazole-4-carboxamide
CID 16925267
N-cyclohexyl-3-ethoxy-1-ethyl-1H-pyrazole-4-carboxamide
CID 16925381
1-(3-propoxy-1-propyl-1H-pyrazole-4-carbonyl)piperidine-4-carboxamide
CID 16925595
N-(2-(cyclohex-1-en-1-yl)ethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
CID 71789436
ethyl 4-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamido)piperidine-1-carboxylate
CID 71789463
N-(3-(6-oxopyridazin-1(6H)-yl)propyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
CID 71789491
N-methoxy-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
CID 71789496
N-{[(R)-1-ethyl-2-pyrrolidinyl]methyl}-4-oxa-1,7a-diaza-6,7-dihydro-5H-indene-3-carboxamide
CID 97104406
N-[(S)-2-oxotetrahydro-3-thienyl]-4-oxa-1,7a-diaza-6,7-dihydro-5H-indene-3-carboxamide
CID 97106809

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-fluorocyclopentyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide?
The IUPAC name of N-[(1R,2R)-2-fluorocyclopentyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide (CID 154883616) is N-[(1R,2R)-2-fluorocyclopentyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide.
What is the SMILES notation for N-[(1R,2R)-2-fluorocyclopentyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide?
The canonical SMILES for N-[(1R,2R)-2-fluorocyclopentyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide is O=C(N[C@@H]1CCC[C@H]1F)c1cnn2c1OCCC2.
What is the InChIKey of N-[(1R,2R)-2-fluorocyclopentyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide?
The InChIKey is IXPCDCGZFDAJGY-NXEZZACHSA-N. The full InChI is InChI=1S/C12H16FN3O2/c13-9-3-1-4-10(9)15-11(17)8-7-14-16-5-2-6-18-12(8)16/h7,9-10H,1-6H2,(H,15,17)/t9-,10-/m1/s1.
What are the key properties of N-[(1R,2R)-2-fluorocyclopentyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide?
N-[(1R,2R)-2-fluorocyclopentyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-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-[(1R,2R)-2-fluorocyclopentyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide is sourced from PubChem (CID 154883616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).