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

C10H15N3O3 — CID 71789432

IUPACN-(3-hydroxypropyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
SMILESO=C(NCCCO)c1cnn2c1OCCC2
InChIInChI=1S/C10H15N3O3/c14-5-1-3-11-9(15)8-7-12-13-4-2-6-16-10(8)13/h7,14H,1-6H2,(H,11,15)
InChIKeyYAGBZHCSNJRJDY-UHFFFAOYSA-N
MW225.25 g/mol
LogP-0.22
Rot. Bonds4

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

N-(3-hydroxypropyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide (PubChem CID 71789432) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
PubChem CID71789432
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC NameN-(3-hydroxypropyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
SMILESO=C(NCCCO)c1cnn2c1OCCC2
InChIInChI=1S/C10H15N3O3/c14-5-1-3-11-9(15)8-7-12-13-4-2-6-16-10(8)13/h7,14H,1-6H2,(H,11,15)
InChIKeyYAGBZHCSNJRJDY-UHFFFAOYSA-N
XLogP-0.22
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5H,6H,7H-pyrazolo[3,2-b][1,3]oxazine-3-carboxylic acid
CID 52228125
5H,6H,7H-pyrazolo[3,2-b][1,3]oxazine-3-carbaldehyde
CID 84649596
6-Methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbaldehyde
CID 84652336
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
Ethyl 6,7-dihydro-5H-pyrazolo[5,1-B][1,3]oxazine-3-carboxylate
CID 52228126
(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)(piperidin-1-yl)methanone
CID 71789424
6,6-dimethyl-5H,6H,7H-pyrazolo(3,2-b)(1,3)oxazine-3-carboxylic acid
CID 71777859
6-methylidene-5H,6H,7H-pyrazolo[3,2-b][1,3]oxazine-3-carboxylic acid
CID 155973290
6-amino-5H,6H,7H-pyrazolo[3,2-b][1,3]oxazine-3-carboxylic acid hydrochloride
CID 165989038
5',7'-Dihydrospiro[oxetane-3,6'-pyrazolo[3,2-b][1,3]oxazine]-3'-carboxylic acid
CID 167719402
3-methoxy-N-(2-methoxyethyl)-1-methyl-1H-pyrazole-4-carboxamide
CID 16925263

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypropyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide?
The IUPAC name of N-(3-hydroxypropyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide (CID 71789432) is N-(3-hydroxypropyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide.
What is the SMILES notation for N-(3-hydroxypropyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide?
The canonical SMILES for N-(3-hydroxypropyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide is O=C(NCCCO)c1cnn2c1OCCC2.
What is the InChIKey of N-(3-hydroxypropyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide?
The InChIKey is YAGBZHCSNJRJDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c14-5-1-3-11-9(15)8-7-12-13-4-2-6-16-10(8)13/h7,14H,1-6H2,(H,11,15).
What are the key properties of N-(3-hydroxypropyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide?
N-(3-hydroxypropyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide has a molecular weight of 225.25 g/mol, XLogP of -0.22, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide is sourced from PubChem (CID 71789432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).