N-(3-morpholin-4-ylpropyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide

C14H22N4O3 — CID 71789435

IUPACN-(3-morpholin-4-ylpropyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
SMILESO=C(NCCCN1CCOCC1)c1cnn2c1OCCC2
InChIInChI=1S/C14H22N4O3/c19-13(12-11-16-18-5-2-8-21-14(12)18)15-3-1-4-17-6-9-20-10-7-17/h11H,1-10H2,(H,15,19)
InChIKeyVPFKDPPRZYZDPX-UHFFFAOYSA-N
MW294.35 g/mol
LogP0.12
Rot. Bonds5

About N-(3-morpholin-4-ylpropyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide

N-(3-morpholin-4-ylpropyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide (PubChem CID 71789435) has the molecular formula C14H22N4O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is N-(3-morpholin-4-ylpropyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide.

Molecular Properties

Compound NameN-(3-morpholin-4-ylpropyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
PubChem CID71789435
Molecular FormulaC14H22N4O3
Molecular Weight294.35 g/mol
Exact Mass294.17
IUPAC NameN-(3-morpholin-4-ylpropyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
SMILESO=C(NCCCN1CCOCC1)c1cnn2c1OCCC2
InChIInChI=1S/C14H22N4O3/c19-13(12-11-16-18-5-2-8-21-14(12)18)15-3-1-4-17-6-9-20-10-7-17/h11H,1-10H2,(H,15,19)
InChIKeyVPFKDPPRZYZDPX-UHFFFAOYSA-N
XLogP0.12
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-morpholin-4-ylpropyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide?
The IUPAC name of N-(3-morpholin-4-ylpropyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide (CID 71789435) is N-(3-morpholin-4-ylpropyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide.
What is the SMILES notation for N-(3-morpholin-4-ylpropyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide?
The canonical SMILES for N-(3-morpholin-4-ylpropyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide is O=C(NCCCN1CCOCC1)c1cnn2c1OCCC2.
What is the InChIKey of N-(3-morpholin-4-ylpropyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide?
The InChIKey is VPFKDPPRZYZDPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c19-13(12-11-16-18-5-2-8-21-14(12)18)15-3-1-4-17-6-9-20-10-7-17/h11H,1-10H2,(H,15,19).
What are the key properties of N-(3-morpholin-4-ylpropyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide?
N-(3-morpholin-4-ylpropyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide has a molecular weight of 294.35 g/mol, XLogP of 0.12, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-ylpropyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide is sourced from PubChem (CID 71789435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).