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

C11H13N5O3 — CID 71789379

IUPACN-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
SMILESCc1nnc(CNC(=O)c2cc3n(n2)CCCO3)o1
InChIInChI=1S/C11H13N5O3/c1-7-13-14-9(19-7)6-12-11(17)8-5-10-16(15-8)3-2-4-18-10/h5H,2-4,6H2,1H3,(H,12,17)
InChIKeyOFCPJDLJBLIYDO-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-2-carboxamide

N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide (PubChem CID 71789379) 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-2-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-2-carboxamide
PubChem CID71789379
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-2-carboxamide
SMILESCc1nnc(CNC(=O)c2cc3n(n2)CCCO3)o1
InChIInChI=1S/C11H13N5O3/c1-7-13-14-9(19-7)6-12-11(17)8-5-10-16(15-8)3-2-4-18-10/h5H,2-4,6H2,1H3,(H,12,17)
InChIKeyOFCPJDLJBLIYDO-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-2-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-2-carboxamide (CID 71789379) is N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-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-2-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-2-carboxamide is Cc1nnc(CNC(=O)c2cc3n(n2)CCCO3)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-2-carboxamide?
The InChIKey is OFCPJDLJBLIYDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O3/c1-7-13-14-9(19-7)6-12-11(17)8-5-10-16(15-8)3-2-4-18-10/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-2-carboxamide?
N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-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-2-carboxamide is sourced from PubChem (CID 71789379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).