N-benzyl-N-pyridin-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide

C19H18N4O2 — CID 90536819

IUPACN-benzyl-N-pyridin-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
SMILESO=C(c1cc2n(n1)CCCO2)N(Cc1ccccc1)c1ccccn1
InChIInChI=1S/C19H18N4O2/c24-19(16-13-18-23(21-16)11-6-12-25-18)22(17-9-4-5-10-20-17)14-15-7-2-1-3-8-15/h1-5,7-10,13H,6,11-12,14H2
InChIKeyNETJIXGDLCKGOU-UHFFFAOYSA-N
MW334.38 g/mol
LogP2.91
Rot. Bonds4

About N-benzyl-N-pyridin-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide

N-benzyl-N-pyridin-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide (PubChem CID 90536819) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is N-benzyl-N-pyridin-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-pyridin-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
PubChem CID90536819
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC NameN-benzyl-N-pyridin-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
SMILESO=C(c1cc2n(n1)CCCO2)N(Cc1ccccc1)c1ccccn1
InChIInChI=1S/C19H18N4O2/c24-19(16-13-18-23(21-16)11-6-12-25-18)22(17-9-4-5-10-20-17)14-15-7-2-1-3-8-15/h1-5,7-10,13H,6,11-12,14H2
InChIKeyNETJIXGDLCKGOU-UHFFFAOYSA-N
XLogP2.91
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-pyridin-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide?
The IUPAC name of N-benzyl-N-pyridin-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide (CID 90536819) is N-benzyl-N-pyridin-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide.
What is the SMILES notation for N-benzyl-N-pyridin-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide?
The canonical SMILES for N-benzyl-N-pyridin-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide is O=C(c1cc2n(n1)CCCO2)N(Cc1ccccc1)c1ccccn1.
What is the InChIKey of N-benzyl-N-pyridin-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide?
The InChIKey is NETJIXGDLCKGOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2/c24-19(16-13-18-23(21-16)11-6-12-25-18)22(17-9-4-5-10-20-17)14-15-7-2-1-3-8-15/h1-5,7-10,13H,6,11-12,14H2.
What are the key properties of N-benzyl-N-pyridin-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide?
N-benzyl-N-pyridin-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide has a molecular weight of 334.38 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-pyridin-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide is sourced from PubChem (CID 90536819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).