1-ethyl-N-[(4R)-2-(oxan-4-ylmethyl)-3-oxo-1,2-oxazolidin-4-yl]pyrrole-3-carboxamide

C16H23N3O4 — CID 140555094

IUPAC1-ethyl-N-[(4R)-2-(oxan-4-ylmethyl)-3-oxo-1,2-oxazolidin-4-yl]pyrrole-3-carboxamide
SMILESCCn1ccc(C(=O)N[C@@H]2CON(CC3CCOCC3)C2=O)c1
InChIInChI=1S/C16H23N3O4/c1-2-18-6-3-13(10-18)15(20)17-14-11-23-19(16(14)21)9-12-4-7-22-8-5-12/h3,6,10,12,14H,2,4-5,7-9,11H2,1H3,(H,17,20)/t14-/m1/s1
InChIKeyOYQVIJKKKVIUHA-CQSZACIVSA-N
MW321.38 g/mol
LogP0.81
Rot. Bonds5

About 1-ethyl-N-[(4R)-2-(oxan-4-ylmethyl)-3-oxo-1,2-oxazolidin-4-yl]pyrrole-3-carboxamide

1-ethyl-N-[(4R)-2-(oxan-4-ylmethyl)-3-oxo-1,2-oxazolidin-4-yl]pyrrole-3-carboxamide (PubChem CID 140555094) has the molecular formula C16H23N3O4 and a molecular weight of 321.38 g/mol. Its IUPAC name is 1-ethyl-N-[(4R)-2-(oxan-4-ylmethyl)-3-oxo-1,2-oxazolidin-4-yl]pyrrole-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[(4R)-2-(oxan-4-ylmethyl)-3-oxo-1,2-oxazolidin-4-yl]pyrrole-3-carboxamide
PubChem CID140555094
Molecular FormulaC16H23N3O4
Molecular Weight321.38 g/mol
Exact Mass321.17
IUPAC Name1-ethyl-N-[(4R)-2-(oxan-4-ylmethyl)-3-oxo-1,2-oxazolidin-4-yl]pyrrole-3-carboxamide
SMILESCCn1ccc(C(=O)N[C@@H]2CON(CC3CCOCC3)C2=O)c1
InChIInChI=1S/C16H23N3O4/c1-2-18-6-3-13(10-18)15(20)17-14-11-23-19(16(14)21)9-12-4-7-22-8-5-12/h3,6,10,12,14H,2,4-5,7-9,11H2,1H3,(H,17,20)/t14-/m1/s1
InChIKeyOYQVIJKKKVIUHA-CQSZACIVSA-N
XLogP0.81
TPSA72.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[(4R)-2-(oxan-4-ylmethyl)-3-oxo-1,2-oxazolidin-4-yl]pyrrole-3-carboxamide?
The IUPAC name of 1-ethyl-N-[(4R)-2-(oxan-4-ylmethyl)-3-oxo-1,2-oxazolidin-4-yl]pyrrole-3-carboxamide (CID 140555094) is 1-ethyl-N-[(4R)-2-(oxan-4-ylmethyl)-3-oxo-1,2-oxazolidin-4-yl]pyrrole-3-carboxamide.
What is the SMILES notation for 1-ethyl-N-[(4R)-2-(oxan-4-ylmethyl)-3-oxo-1,2-oxazolidin-4-yl]pyrrole-3-carboxamide?
The canonical SMILES for 1-ethyl-N-[(4R)-2-(oxan-4-ylmethyl)-3-oxo-1,2-oxazolidin-4-yl]pyrrole-3-carboxamide is CCn1ccc(C(=O)N[C@@H]2CON(CC3CCOCC3)C2=O)c1.
What is the InChIKey of 1-ethyl-N-[(4R)-2-(oxan-4-ylmethyl)-3-oxo-1,2-oxazolidin-4-yl]pyrrole-3-carboxamide?
The InChIKey is OYQVIJKKKVIUHA-CQSZACIVSA-N. The full InChI is InChI=1S/C16H23N3O4/c1-2-18-6-3-13(10-18)15(20)17-14-11-23-19(16(14)21)9-12-4-7-22-8-5-12/h3,6,10,12,14H,2,4-5,7-9,11H2,1H3,(H,17,20)/t14-/m1/s1.
What are the key properties of 1-ethyl-N-[(4R)-2-(oxan-4-ylmethyl)-3-oxo-1,2-oxazolidin-4-yl]pyrrole-3-carboxamide?
1-ethyl-N-[(4R)-2-(oxan-4-ylmethyl)-3-oxo-1,2-oxazolidin-4-yl]pyrrole-3-carboxamide has a molecular weight of 321.38 g/mol, XLogP of 0.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[(4R)-2-(oxan-4-ylmethyl)-3-oxo-1,2-oxazolidin-4-yl]pyrrole-3-carboxamide is sourced from PubChem (CID 140555094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).