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

C22H23N3O2 — CID 90536811

IUPACN-(3,3-diphenylpropyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
SMILESO=C(NCCC(c1ccccc1)c1ccccc1)c1cc2n(n1)CCCO2
InChIInChI=1S/C22H23N3O2/c26-22(20-16-21-25(24-20)14-7-15-27-21)23-13-12-19(17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-6,8-11,16,19H,7,12-15H2,(H,23,26)
InChIKeyDPWYEBMGTPFVSZ-UHFFFAOYSA-N
MW361.44 g/mol
LogP3.62
Rot. Bonds6

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

N-(3,3-diphenylpropyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide (PubChem CID 90536811) has the molecular formula C22H23N3O2 and a molecular weight of 361.44 g/mol. Its IUPAC name is N-(3,3-diphenylpropyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide.

Molecular Properties

Compound NameN-(3,3-diphenylpropyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
PubChem CID90536811
Molecular FormulaC22H23N3O2
Molecular Weight361.44 g/mol
Exact Mass361.18
IUPAC NameN-(3,3-diphenylpropyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
SMILESO=C(NCCC(c1ccccc1)c1ccccc1)c1cc2n(n1)CCCO2
InChIInChI=1S/C22H23N3O2/c26-22(20-16-21-25(24-20)14-7-15-27-21)23-13-12-19(17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-6,8-11,16,19H,7,12-15H2,(H,23,26)
InChIKeyDPWYEBMGTPFVSZ-UHFFFAOYSA-N
XLogP3.62
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-diphenylpropyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide?
The IUPAC name of N-(3,3-diphenylpropyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide (CID 90536811) is N-(3,3-diphenylpropyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide.
What is the SMILES notation for N-(3,3-diphenylpropyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide?
The canonical SMILES for N-(3,3-diphenylpropyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide is O=C(NCCC(c1ccccc1)c1ccccc1)c1cc2n(n1)CCCO2.
What is the InChIKey of N-(3,3-diphenylpropyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide?
The InChIKey is DPWYEBMGTPFVSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c26-22(20-16-21-25(24-20)14-7-15-27-21)23-13-12-19(17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-6,8-11,16,19H,7,12-15H2,(H,23,26).
What are the key properties of N-(3,3-diphenylpropyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide?
N-(3,3-diphenylpropyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide has a molecular weight of 361.44 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-diphenylpropyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide is sourced from PubChem (CID 90536811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).