(4S)-2-oxo-3-(oxolan-3-ylmethyl)-N-(2-pyrazol-1-ylethyl)-1,3-oxazolidine-4-carboxamide

C14H20N4O4 — CID 50851320

IUPAC(4S)-2-oxo-3-(oxolan-3-ylmethyl)-N-(2-pyrazol-1-ylethyl)-1,3-oxazolidine-4-carboxamide
SMILESO=C(NCCn1cccn1)[C@@H]1COC(=O)N1CC1CCOC1
InChIInChI=1S/C14H20N4O4/c19-13(15-4-6-17-5-1-3-16-17)12-10-22-14(20)18(12)8-11-2-7-21-9-11/h1,3,5,11-12H,2,4,6-10H2,(H,15,19)/t11?,12-/m0/s1
InChIKeyHZRKKAZCYCQJQM-KIYNQFGBSA-N
MW308.34 g/mol
LogP-0.14
Rot. Bonds6

About (4S)-2-oxo-3-(oxolan-3-ylmethyl)-N-(2-pyrazol-1-ylethyl)-1,3-oxazolidine-4-carboxamide

(4S)-2-oxo-3-(oxolan-3-ylmethyl)-N-(2-pyrazol-1-ylethyl)-1,3-oxazolidine-4-carboxamide (PubChem CID 50851320) has the molecular formula C14H20N4O4 and a molecular weight of 308.34 g/mol. Its IUPAC name is (4S)-2-oxo-3-(oxolan-3-ylmethyl)-N-(2-pyrazol-1-ylethyl)-1,3-oxazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-2-oxo-3-(oxolan-3-ylmethyl)-N-(2-pyrazol-1-ylethyl)-1,3-oxazolidine-4-carboxamide
PubChem CID50851320
Molecular FormulaC14H20N4O4
Molecular Weight308.34 g/mol
Exact Mass308.15
IUPAC Name(4S)-2-oxo-3-(oxolan-3-ylmethyl)-N-(2-pyrazol-1-ylethyl)-1,3-oxazolidine-4-carboxamide
SMILESO=C(NCCn1cccn1)[C@@H]1COC(=O)N1CC1CCOC1
InChIInChI=1S/C14H20N4O4/c19-13(15-4-6-17-5-1-3-16-17)12-10-22-14(20)18(12)8-11-2-7-21-9-11/h1,3,5,11-12H,2,4,6-10H2,(H,15,19)/t11?,12-/m0/s1
InChIKeyHZRKKAZCYCQJQM-KIYNQFGBSA-N
XLogP-0.14
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4S)-2-oxo-3-(oxolan-3-ylmethyl)-N-(2-pyrazol-1-ylethyl)-1,3-oxazolidine-4-carboxamide?
The IUPAC name of (4S)-2-oxo-3-(oxolan-3-ylmethyl)-N-(2-pyrazol-1-ylethyl)-1,3-oxazolidine-4-carboxamide (CID 50851320) is (4S)-2-oxo-3-(oxolan-3-ylmethyl)-N-(2-pyrazol-1-ylethyl)-1,3-oxazolidine-4-carboxamide.
What is the SMILES notation for (4S)-2-oxo-3-(oxolan-3-ylmethyl)-N-(2-pyrazol-1-ylethyl)-1,3-oxazolidine-4-carboxamide?
The canonical SMILES for (4S)-2-oxo-3-(oxolan-3-ylmethyl)-N-(2-pyrazol-1-ylethyl)-1,3-oxazolidine-4-carboxamide is O=C(NCCn1cccn1)[C@@H]1COC(=O)N1CC1CCOC1.
What is the InChIKey of (4S)-2-oxo-3-(oxolan-3-ylmethyl)-N-(2-pyrazol-1-ylethyl)-1,3-oxazolidine-4-carboxamide?
The InChIKey is HZRKKAZCYCQJQM-KIYNQFGBSA-N. The full InChI is InChI=1S/C14H20N4O4/c19-13(15-4-6-17-5-1-3-16-17)12-10-22-14(20)18(12)8-11-2-7-21-9-11/h1,3,5,11-12H,2,4,6-10H2,(H,15,19)/t11?,12-/m0/s1.
What are the key properties of (4S)-2-oxo-3-(oxolan-3-ylmethyl)-N-(2-pyrazol-1-ylethyl)-1,3-oxazolidine-4-carboxamide?
(4S)-2-oxo-3-(oxolan-3-ylmethyl)-N-(2-pyrazol-1-ylethyl)-1,3-oxazolidine-4-carboxamide has a molecular weight of 308.34 g/mol, XLogP of -0.14, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-oxo-3-(oxolan-3-ylmethyl)-N-(2-pyrazol-1-ylethyl)-1,3-oxazolidine-4-carboxamide is sourced from PubChem (CID 50851320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).