3-[5-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]propanoic acid

C15H20N4O5 — CID 72866578

IUPAC3-[5-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]propanoic acid
SMILESO=C(O)CCc1cc2n(n1)CCCN(C(=O)CN1CCOC1=O)C2
InChIInChI=1S/C15H20N4O5/c20-13(10-18-6-7-24-15(18)23)17-4-1-5-19-12(9-17)8-11(16-19)2-3-14(21)22/h8H,1-7,9-10H2,(H,21,22)
InChIKeyOUOIHJPMRQAMKV-UHFFFAOYSA-N
MW336.35 g/mol
LogP0.08
Rot. Bonds5

About 3-[5-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]propanoic acid

3-[5-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]propanoic acid (PubChem CID 72866578) has the molecular formula C15H20N4O5 and a molecular weight of 336.35 g/mol. Its IUPAC name is 3-[5-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[5-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]propanoic acid
PubChem CID72866578
Molecular FormulaC15H20N4O5
Molecular Weight336.35 g/mol
Exact Mass336.14
IUPAC Name3-[5-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]propanoic acid
SMILESO=C(O)CCc1cc2n(n1)CCCN(C(=O)CN1CCOC1=O)C2
InChIInChI=1S/C15H20N4O5/c20-13(10-18-6-7-24-15(18)23)17-4-1-5-19-12(9-17)8-11(16-19)2-3-14(21)22/h8H,1-7,9-10H2,(H,21,22)
InChIKeyOUOIHJPMRQAMKV-UHFFFAOYSA-N
XLogP0.08
TPSA104.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[5-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]propanoic acid?
The IUPAC name of 3-[5-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]propanoic acid (CID 72866578) is 3-[5-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]propanoic acid.
What is the SMILES notation for 3-[5-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]propanoic acid?
The canonical SMILES for 3-[5-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]propanoic acid is O=C(O)CCc1cc2n(n1)CCCN(C(=O)CN1CCOC1=O)C2.
What is the InChIKey of 3-[5-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]propanoic acid?
The InChIKey is OUOIHJPMRQAMKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O5/c20-13(10-18-6-7-24-15(18)23)17-4-1-5-19-12(9-17)8-11(16-19)2-3-14(21)22/h8H,1-7,9-10H2,(H,21,22).
What are the key properties of 3-[5-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]propanoic acid?
3-[5-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]propanoic acid has a molecular weight of 336.35 g/mol, XLogP of 0.08, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]propanoic acid is sourced from PubChem (CID 72866578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).