5-(aminomethyl)-4-methyl-3-(1H-pyrazol-4-yl)-1,3-oxazolidin-2-one

C8H12N4O2 — CID 112710446

IUPAC5-(aminomethyl)-4-methyl-3-(1H-pyrazol-4-yl)-1,3-oxazolidin-2-one
SMILESCC1C(CN)OC(=O)N1c1cn[nH]c1
InChIInChI=1S/C8H12N4O2/c1-5-7(2-9)14-8(13)12(5)6-3-10-11-4-6/h3-5,7H,2,9H2,1H3,(H,10,11)
InChIKeyHNPDDAOOZKQCFI-UHFFFAOYSA-N
MW196.21 g/mol
LogP0.08
Rot. Bonds2

About 5-(aminomethyl)-4-methyl-3-(1H-pyrazol-4-yl)-1,3-oxazolidin-2-one

5-(aminomethyl)-4-methyl-3-(1H-pyrazol-4-yl)-1,3-oxazolidin-2-one (PubChem CID 112710446) has the molecular formula C8H12N4O2 and a molecular weight of 196.21 g/mol. Its IUPAC name is 5-(aminomethyl)-4-methyl-3-(1H-pyrazol-4-yl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-(aminomethyl)-4-methyl-3-(1H-pyrazol-4-yl)-1,3-oxazolidin-2-one
PubChem CID112710446
Molecular FormulaC8H12N4O2
Molecular Weight196.21 g/mol
Exact Mass196.10
IUPAC Name5-(aminomethyl)-4-methyl-3-(1H-pyrazol-4-yl)-1,3-oxazolidin-2-one
SMILESCC1C(CN)OC(=O)N1c1cn[nH]c1
InChIInChI=1S/C8H12N4O2/c1-5-7(2-9)14-8(13)12(5)6-3-10-11-4-6/h3-5,7H,2,9H2,1H3,(H,10,11)
InChIKeyHNPDDAOOZKQCFI-UHFFFAOYSA-N
XLogP0.08
TPSA84.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-4-methyl-3-(1H-pyrazol-4-yl)-1,3-oxazolidin-2-one?
The IUPAC name of 5-(aminomethyl)-4-methyl-3-(1H-pyrazol-4-yl)-1,3-oxazolidin-2-one (CID 112710446) is 5-(aminomethyl)-4-methyl-3-(1H-pyrazol-4-yl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-(aminomethyl)-4-methyl-3-(1H-pyrazol-4-yl)-1,3-oxazolidin-2-one?
The canonical SMILES for 5-(aminomethyl)-4-methyl-3-(1H-pyrazol-4-yl)-1,3-oxazolidin-2-one is CC1C(CN)OC(=O)N1c1cn[nH]c1.
What is the InChIKey of 5-(aminomethyl)-4-methyl-3-(1H-pyrazol-4-yl)-1,3-oxazolidin-2-one?
The InChIKey is HNPDDAOOZKQCFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O2/c1-5-7(2-9)14-8(13)12(5)6-3-10-11-4-6/h3-5,7H,2,9H2,1H3,(H,10,11).
What are the key properties of 5-(aminomethyl)-4-methyl-3-(1H-pyrazol-4-yl)-1,3-oxazolidin-2-one?
5-(aminomethyl)-4-methyl-3-(1H-pyrazol-4-yl)-1,3-oxazolidin-2-one has a molecular weight of 196.21 g/mol, XLogP of 0.08, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-4-methyl-3-(1H-pyrazol-4-yl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 112710446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).