N-[[5-(2-methylpropyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide

C17H27N5O3 — CID 70722530

IUPACN-[[5-(2-methylpropyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide
SMILESCC(C)CN1CCCn2nc(CNC(=O)CN3CCOC3=O)cc2C1
InChIInChI=1S/C17H27N5O3/c1-13(2)10-20-4-3-5-22-15(11-20)8-14(19-22)9-18-16(23)12-21-6-7-25-17(21)24/h8,13H,3-7,9-12H2,1-2H3,(H,18,23)
InChIKeySRFFZUVPBIWTFQ-UHFFFAOYSA-N
MW349.44 g/mol
LogP0.81
Rot. Bonds6

About N-[[5-(2-methylpropyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide

N-[[5-(2-methylpropyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide (PubChem CID 70722530) has the molecular formula C17H27N5O3 and a molecular weight of 349.44 g/mol. Its IUPAC name is N-[[5-(2-methylpropyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide.

Molecular Properties

Compound NameN-[[5-(2-methylpropyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide
PubChem CID70722530
Molecular FormulaC17H27N5O3
Molecular Weight349.44 g/mol
Exact Mass349.21
IUPAC NameN-[[5-(2-methylpropyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide
SMILESCC(C)CN1CCCn2nc(CNC(=O)CN3CCOC3=O)cc2C1
InChIInChI=1S/C17H27N5O3/c1-13(2)10-20-4-3-5-22-15(11-20)8-14(19-22)9-18-16(23)12-21-6-7-25-17(21)24/h8,13H,3-7,9-12H2,1-2H3,(H,18,23)
InChIKeySRFFZUVPBIWTFQ-UHFFFAOYSA-N
XLogP0.81
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[5-(2-methylpropyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-methylpropyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide?
The IUPAC name of N-[[5-(2-methylpropyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide (CID 70722530) is N-[[5-(2-methylpropyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide.
What is the SMILES notation for N-[[5-(2-methylpropyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide?
The canonical SMILES for N-[[5-(2-methylpropyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide is CC(C)CN1CCCn2nc(CNC(=O)CN3CCOC3=O)cc2C1.
What is the InChIKey of N-[[5-(2-methylpropyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide?
The InChIKey is SRFFZUVPBIWTFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O3/c1-13(2)10-20-4-3-5-22-15(11-20)8-14(19-22)9-18-16(23)12-21-6-7-25-17(21)24/h8,13H,3-7,9-12H2,1-2H3,(H,18,23).
What are the key properties of N-[[5-(2-methylpropyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide?
N-[[5-(2-methylpropyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide has a molecular weight of 349.44 g/mol, XLogP of 0.81, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-methylpropyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide is sourced from PubChem (CID 70722530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).