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

C15H17N3O2 — CID 90536800

IUPACN-(1-phenylethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
SMILESCC(NC(=O)c1cc2n(n1)CCCO2)c1ccccc1
InChIInChI=1S/C15H17N3O2/c1-11(12-6-3-2-4-7-12)16-15(19)13-10-14-18(17-13)8-5-9-20-14/h2-4,6-7,10-11H,5,8-9H2,1H3,(H,16,19)
InChIKeyOROZMEGDTKGCMH-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.16
Rot. Bonds3

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

N-(1-phenylethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide (PubChem CID 90536800) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is N-(1-phenylethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide.

Molecular Properties

Compound NameN-(1-phenylethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
PubChem CID90536800
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC NameN-(1-phenylethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
SMILESCC(NC(=O)c1cc2n(n1)CCCO2)c1ccccc1
InChIInChI=1S/C15H17N3O2/c1-11(12-6-3-2-4-7-12)16-15(19)13-10-14-18(17-13)8-5-9-20-14/h2-4,6-7,10-11H,5,8-9H2,1H3,(H,16,19)
InChIKeyOROZMEGDTKGCMH-UHFFFAOYSA-N
XLogP2.16
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-4-phenylbutan-2-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
CID 97104398
N-(3,3-diphenylpropyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
CID 90536811
N-(2-methylsulfanylphenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
CID 71789317
5-amino-1-methyl-N-(1-phenylethyl)pyrazole-3-carboxamide
CID 122171416
N-(2-carbamoylphenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
CID 71789320
N-(1-benzylpyrazol-3-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
CID 91959265
N-(2-butan-2-ylpyrazol-3-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
CID 91959287
N-benzyl-N-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
CID 90536728
5-(morpholin-4-ylmethyl)-N-[(1R)-1-phenylethyl]-1,2-oxazole-3-carboxamide
CID 92725034
N-benzyl-N-ethyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
CID 90536729
5-benzyl-4-oxo-N-(1-phenylethyl)-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 46077090
6-morpholin-4-yl-N-[(1S)-1-phenylethyl]pyrimidine-4-carboxamide
CID 124749178

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide?
The IUPAC name of N-(1-phenylethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide (CID 90536800) is N-(1-phenylethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide.
What is the SMILES notation for N-(1-phenylethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide?
The canonical SMILES for N-(1-phenylethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide is CC(NC(=O)c1cc2n(n1)CCCO2)c1ccccc1.
What is the InChIKey of N-(1-phenylethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide?
The InChIKey is OROZMEGDTKGCMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-11(12-6-3-2-4-7-12)16-15(19)13-10-14-18(17-13)8-5-9-20-14/h2-4,6-7,10-11H,5,8-9H2,1H3,(H,16,19).
What are the key properties of N-(1-phenylethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide?
N-(1-phenylethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide has a molecular weight of 271.32 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide is sourced from PubChem (CID 90536800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).