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

C14H22N4O2 — CID 97104406

IUPACN-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
SMILESCCN1CCC[C@@H]1CNC(=O)c1cnn2c1OCCC2
InChIInChI=1S/C14H22N4O2/c1-2-17-6-3-5-11(17)9-15-13(19)12-10-16-18-7-4-8-20-14(12)18/h10-11H,2-9H2,1H3,(H,15,19)/t11-/m1/s1
InChIKeyFCZLLVUPVNAONM-LLVKDONJSA-N
MW278.36 g/mol
LogP0.88
Rot. Bonds4

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

N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide (PubChem CID 97104406) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide.

Molecular Properties

Compound NameN-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
PubChem CID97104406
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC NameN-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
SMILESCCN1CCC[C@@H]1CNC(=O)c1cnn2c1OCCC2
InChIInChI=1S/C14H22N4O2/c1-2-17-6-3-5-11(17)9-15-13(19)12-10-16-18-7-4-8-20-14(12)18/h10-11H,2-9H2,1H3,(H,15,19)/t11-/m1/s1
InChIKeyFCZLLVUPVNAONM-LLVKDONJSA-N
XLogP0.88
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide?
The IUPAC name of N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide (CID 97104406) is N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide.
What is the SMILES notation for N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide?
The canonical SMILES for N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide is CCN1CCC[C@@H]1CNC(=O)c1cnn2c1OCCC2.
What is the InChIKey of N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide?
The InChIKey is FCZLLVUPVNAONM-LLVKDONJSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-2-17-6-3-5-11(17)9-15-13(19)12-10-16-18-7-4-8-20-14(12)18/h10-11H,2-9H2,1H3,(H,15,19)/t11-/m1/s1.
What are the key properties of N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide?
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide has a molecular weight of 278.36 g/mol, XLogP of 0.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide is sourced from PubChem (CID 97104406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).