(5S)-N-[(3-chloro-4-fluorophenyl)-(5-chloro-3-pyridinyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide

C16H12Cl2FN3O3 — CID 162520660

IUPAC(5S)-N-[(3-chloro-4-fluorophenyl)-(5-chloro-3-pyridinyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide
SMILESO=C1NC[C@@H](C(=O)NC(c2cncc(Cl)c2)c2ccc(F)c(Cl)c2)O1
InChIInChI=1S/C16H12Cl2FN3O3/c17-10-3-9(5-20-6-10)14(8-1-2-12(19)11(18)4-8)22-15(23)13-7-21-16(24)25-13/h1-6,13-14H,7H2,(H,21,24)(H,22,23)/t13-,14?/m0/s1
InChIKeyGQLNMNKJLMVWII-LSLKUGRBSA-N
MW384.19 g/mol
LogP2.84
Rot. Bonds4

About (5S)-N-[(3-chloro-4-fluorophenyl)-(5-chloro-3-pyridinyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide

(5S)-N-[(3-chloro-4-fluorophenyl)-(5-chloro-3-pyridinyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide (PubChem CID 162520660) has the molecular formula C16H12Cl2FN3O3 and a molecular weight of 384.19 g/mol. Its IUPAC name is (5S)-N-[(3-chloro-4-fluorophenyl)-(5-chloro-3-pyridinyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide.

Molecular Properties

Compound Name(5S)-N-[(3-chloro-4-fluorophenyl)-(5-chloro-3-pyridinyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide
PubChem CID162520660
Molecular FormulaC16H12Cl2FN3O3
Molecular Weight384.19 g/mol
Exact Mass383.02
IUPAC Name(5S)-N-[(3-chloro-4-fluorophenyl)-(5-chloro-3-pyridinyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide
SMILESO=C1NC[C@@H](C(=O)NC(c2cncc(Cl)c2)c2ccc(F)c(Cl)c2)O1
InChIInChI=1S/C16H12Cl2FN3O3/c17-10-3-9(5-20-6-10)14(8-1-2-12(19)11(18)4-8)22-15(23)13-7-21-16(24)25-13/h1-6,13-14H,7H2,(H,21,24)(H,22,23)/t13-,14?/m0/s1
InChIKeyGQLNMNKJLMVWII-LSLKUGRBSA-N
XLogP2.84
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.19
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5S)-N-[(3-chloro-4-fluorophenyl)-(5-chloro-3-pyridinyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide?
The IUPAC name of (5S)-N-[(3-chloro-4-fluorophenyl)-(5-chloro-3-pyridinyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide (CID 162520660) is (5S)-N-[(3-chloro-4-fluorophenyl)-(5-chloro-3-pyridinyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide.
What is the SMILES notation for (5S)-N-[(3-chloro-4-fluorophenyl)-(5-chloro-3-pyridinyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide?
The canonical SMILES for (5S)-N-[(3-chloro-4-fluorophenyl)-(5-chloro-3-pyridinyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide is O=C1NC[C@@H](C(=O)NC(c2cncc(Cl)c2)c2ccc(F)c(Cl)c2)O1.
What is the InChIKey of (5S)-N-[(3-chloro-4-fluorophenyl)-(5-chloro-3-pyridinyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide?
The InChIKey is GQLNMNKJLMVWII-LSLKUGRBSA-N. The full InChI is InChI=1S/C16H12Cl2FN3O3/c17-10-3-9(5-20-6-10)14(8-1-2-12(19)11(18)4-8)22-15(23)13-7-21-16(24)25-13/h1-6,13-14H,7H2,(H,21,24)(H,22,23)/t13-,14?/m0/s1.
What are the key properties of (5S)-N-[(3-chloro-4-fluorophenyl)-(5-chloro-3-pyridinyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide?
(5S)-N-[(3-chloro-4-fluorophenyl)-(5-chloro-3-pyridinyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide has a molecular weight of 384.19 g/mol, XLogP of 2.84, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-N-[(3-chloro-4-fluorophenyl)-(5-chloro-3-pyridinyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide is sourced from PubChem (CID 162520660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).