3-[1-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)piperidin-4-yl]-1,3-oxazolidin-2-one

C16H25N5O2 — CID 56907863

IUPAC3-[1-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)piperidin-4-yl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1C1CCN(Cc2cc3n(n2)CCCNC3)CC1
InChIInChI=1S/C16H25N5O2/c22-16-20(8-9-23-16)14-2-6-19(7-3-14)12-13-10-15-11-17-4-1-5-21(15)18-13/h10,14,17H,1-9,11-12H2
InChIKeyRHFFFCMEXQTXCL-UHFFFAOYSA-N
MW319.41 g/mol
LogP0.79
Rot. Bonds3

About 3-[1-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)piperidin-4-yl]-1,3-oxazolidin-2-one

3-[1-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)piperidin-4-yl]-1,3-oxazolidin-2-one (PubChem CID 56907863) has the molecular formula C16H25N5O2 and a molecular weight of 319.41 g/mol. Its IUPAC name is 3-[1-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)piperidin-4-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[1-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)piperidin-4-yl]-1,3-oxazolidin-2-one
PubChem CID56907863
Molecular FormulaC16H25N5O2
Molecular Weight319.41 g/mol
Exact Mass319.20
IUPAC Name3-[1-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)piperidin-4-yl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1C1CCN(Cc2cc3n(n2)CCCNC3)CC1
InChIInChI=1S/C16H25N5O2/c22-16-20(8-9-23-16)14-2-6-19(7-3-14)12-13-10-15-11-17-4-1-5-21(15)18-13/h10,14,17H,1-9,11-12H2
InChIKeyRHFFFCMEXQTXCL-UHFFFAOYSA-N
XLogP0.79
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)piperidin-4-yl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[1-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)piperidin-4-yl]-1,3-oxazolidin-2-one (CID 56907863) is 3-[1-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)piperidin-4-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[1-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)piperidin-4-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[1-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)piperidin-4-yl]-1,3-oxazolidin-2-one is O=C1OCCN1C1CCN(Cc2cc3n(n2)CCCNC3)CC1.
What is the InChIKey of 3-[1-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)piperidin-4-yl]-1,3-oxazolidin-2-one?
The InChIKey is RHFFFCMEXQTXCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O2/c22-16-20(8-9-23-16)14-2-6-19(7-3-14)12-13-10-15-11-17-4-1-5-21(15)18-13/h10,14,17H,1-9,11-12H2.
What are the key properties of 3-[1-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)piperidin-4-yl]-1,3-oxazolidin-2-one?
3-[1-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)piperidin-4-yl]-1,3-oxazolidin-2-one has a molecular weight of 319.41 g/mol, XLogP of 0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)piperidin-4-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 56907863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).