N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide

C11H13N5O3 — CID 71789487

IUPACN-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
SMILESCc1nnc(CNC(=O)c2cnn3c2OCCC3)o1
InChIInChI=1S/C11H13N5O3/c1-7-14-15-9(19-7)6-12-10(17)8-5-13-16-3-2-4-18-11(8)16/h5H,2-4,6H2,1H3,(H,12,17)
InChIKeyYJGQRRHWNWYNLE-UHFFFAOYSA-N
MW263.26 g/mol
LogP0.29
Rot. Bonds3

About N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide

N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide (PubChem CID 71789487) has the molecular formula C11H13N5O3 and a molecular weight of 263.26 g/mol. Its IUPAC name is N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide.

Molecular Properties

Compound NameN-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
PubChem CID71789487
Molecular FormulaC11H13N5O3
Molecular Weight263.26 g/mol
Exact Mass263.10
IUPAC NameN-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
SMILESCc1nnc(CNC(=O)c2cnn3c2OCCC3)o1
InChIInChI=1S/C11H13N5O3/c1-7-14-15-9(19-7)6-12-10(17)8-5-13-16-3-2-4-18-11(8)16/h5H,2-4,6H2,1H3,(H,12,17)
InChIKeyYJGQRRHWNWYNLE-UHFFFAOYSA-N
XLogP0.29
TPSA95.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide?
The IUPAC name of N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide (CID 71789487) is N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide.
What is the SMILES notation for N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide?
The canonical SMILES for N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide is Cc1nnc(CNC(=O)c2cnn3c2OCCC3)o1.
What is the InChIKey of N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide?
The InChIKey is YJGQRRHWNWYNLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O3/c1-7-14-15-9(19-7)6-12-10(17)8-5-13-16-3-2-4-18-11(8)16/h5H,2-4,6H2,1H3,(H,12,17).
What are the key properties of N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide?
N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide has a molecular weight of 263.26 g/mol, XLogP of 0.29, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide is sourced from PubChem (CID 71789487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).