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

C12H17N3O3 — CID 97042260

IUPACN-[[(2R)-oxolan-2-yl]methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
SMILESO=C(NC[C@H]1CCCO1)c1cnn2c1OCCC2
InChIInChI=1S/C12H17N3O3/c16-11(13-7-9-3-1-5-17-9)10-8-14-15-4-2-6-18-12(10)15/h8-9H,1-7H2,(H,13,16)/t9-/m1/s1
InChIKeyJYMFZRVVWYTDND-SECBINFHSA-N
MW251.29 g/mol
LogP0.57
Rot. Bonds3

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

N-[[(2R)-oxolan-2-yl]methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide (PubChem CID 97042260) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is N-[[(2R)-oxolan-2-yl]methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide.

Molecular Properties

Compound NameN-[[(2R)-oxolan-2-yl]methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
PubChem CID97042260
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC NameN-[[(2R)-oxolan-2-yl]methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
SMILESO=C(NC[C@H]1CCCO1)c1cnn2c1OCCC2
InChIInChI=1S/C12H17N3O3/c16-11(13-7-9-3-1-5-17-9)10-8-14-15-4-2-6-18-12(10)15/h8-9H,1-7H2,(H,13,16)/t9-/m1/s1
InChIKeyJYMFZRVVWYTDND-SECBINFHSA-N
XLogP0.57
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[(2R)-oxolan-2-yl]methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide with MolForge

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Related Compounds

(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)(4-(tetrahydrofuran-2-carbonyl)piperazin-1-yl)methanone
CID 71789468
(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)(piperidin-1-yl)methanone
CID 71789424
1-(3-methoxy-1-methyl-1H-pyrazole-4-carbonyl)-N-((tetrahydrofuran-2-yl)methyl)piperidine-4-carboxamide
CID 71782940
ethyl 4-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamido)piperidine-1-carboxylate
CID 71789463
(4-oxa-1,7a-diaza-6,7-dihydro-5H-inden-3-yl){4-[(S)-perhydro-2-furoyl]-1-piperazinyl}methanone
CID 97104402
N-{[(R)-1-ethyl-2-pyrrolidinyl]methyl}-4-oxa-1,7a-diaza-6,7-dihydro-5H-indene-3-carboxamide
CID 97104406
ethyl 2-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamido)acetate
CID 71789434
N-[2-[(1R)-3,3-difluorocyclopentyl]ethyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
CID 164636698
N-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
CID 71789485
N-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
CID 136567169
N-[2-(3,3-difluorocyclopentyl)ethyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
CID 136567606
N-[(1R,2R)-2-fluorocyclopentyl]-5H,6H,7H-pyrazolo[3,2-b][1,3]oxazine-3-carboxamide
CID 154883616

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-oxolan-2-yl]methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide?
The IUPAC name of N-[[(2R)-oxolan-2-yl]methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide (CID 97042260) is N-[[(2R)-oxolan-2-yl]methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide.
What is the SMILES notation for N-[[(2R)-oxolan-2-yl]methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide?
The canonical SMILES for N-[[(2R)-oxolan-2-yl]methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide is O=C(NC[C@H]1CCCO1)c1cnn2c1OCCC2.
What is the InChIKey of N-[[(2R)-oxolan-2-yl]methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide?
The InChIKey is JYMFZRVVWYTDND-SECBINFHSA-N. The full InChI is InChI=1S/C12H17N3O3/c16-11(13-7-9-3-1-5-17-9)10-8-14-15-4-2-6-18-12(10)15/h8-9H,1-7H2,(H,13,16)/t9-/m1/s1.
What are the key properties of N-[[(2R)-oxolan-2-yl]methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide?
N-[[(2R)-oxolan-2-yl]methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide has a molecular weight of 251.29 g/mol, XLogP of 0.57, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-oxolan-2-yl]methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide is sourced from PubChem (CID 97042260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).