N-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)acetamide

C13H18N4O3 — CID 91836006

IUPACN-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)acetamide
SMILESCN(Cc1n[nH]c2c1CCC2)C(=O)CN1CCOC1=O
InChIInChI=1S/C13H18N4O3/c1-16(12(18)8-17-5-6-20-13(17)19)7-11-9-3-2-4-10(9)14-15-11/h2-8H2,1H3,(H,14,15)
InChIKeyPGRBYYJLHBKZQQ-UHFFFAOYSA-N
MW278.31 g/mol
LogP0.31
Rot. Bonds4

About N-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)acetamide

N-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)acetamide (PubChem CID 91836006) has the molecular formula C13H18N4O3 and a molecular weight of 278.31 g/mol. Its IUPAC name is N-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)acetamide.

Molecular Properties

Compound NameN-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)acetamide
PubChem CID91836006
Molecular FormulaC13H18N4O3
Molecular Weight278.31 g/mol
Exact Mass278.14
IUPAC NameN-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)acetamide
SMILESCN(Cc1n[nH]c2c1CCC2)C(=O)CN1CCOC1=O
InChIInChI=1S/C13H18N4O3/c1-16(12(18)8-17-5-6-20-13(17)19)7-11-9-3-2-4-10(9)14-15-11/h2-8H2,1H3,(H,14,15)
InChIKeyPGRBYYJLHBKZQQ-UHFFFAOYSA-N
XLogP0.31
TPSA78.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)acetamide?
The IUPAC name of N-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)acetamide (CID 91836006) is N-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)acetamide.
What is the SMILES notation for N-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)acetamide?
The canonical SMILES for N-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)acetamide is CN(Cc1n[nH]c2c1CCC2)C(=O)CN1CCOC1=O.
What is the InChIKey of N-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)acetamide?
The InChIKey is PGRBYYJLHBKZQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3/c1-16(12(18)8-17-5-6-20-13(17)19)7-11-9-3-2-4-10(9)14-15-11/h2-8H2,1H3,(H,14,15).
What are the key properties of N-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)acetamide?
N-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)acetamide has a molecular weight of 278.31 g/mol, XLogP of 0.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)acetamide is sourced from PubChem (CID 91836006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).