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

C16H13ClFN3O3 — CID 162520624

IUPAC(5S)-N-[(4-chlorophenyl)-(5-fluoro-2-pyridinyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide
SMILESO=C1NC[C@@H](C(=O)NC(c2ccc(Cl)cc2)c2ccc(F)cn2)O1
InChIInChI=1S/C16H13ClFN3O3/c17-10-3-1-9(2-4-10)14(12-6-5-11(18)7-19-12)21-15(22)13-8-20-16(23)24-13/h1-7,13-14H,8H2,(H,20,23)(H,21,22)/t13-,14?/m0/s1
InChIKeyBJPOYWMHBQONGL-LSLKUGRBSA-N
MW349.75 g/mol
LogP2.19
Rot. Bonds4

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

(5S)-N-[(4-chlorophenyl)-(5-fluoro-2-pyridinyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide (PubChem CID 162520624) has the molecular formula C16H13ClFN3O3 and a molecular weight of 349.75 g/mol. Its IUPAC name is (5S)-N-[(4-chlorophenyl)-(5-fluoro-2-pyridinyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide.

Molecular Properties

Compound Name(5S)-N-[(4-chlorophenyl)-(5-fluoro-2-pyridinyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide
PubChem CID162520624
Molecular FormulaC16H13ClFN3O3
Molecular Weight349.75 g/mol
Exact Mass349.06
IUPAC Name(5S)-N-[(4-chlorophenyl)-(5-fluoro-2-pyridinyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide
SMILESO=C1NC[C@@H](C(=O)NC(c2ccc(Cl)cc2)c2ccc(F)cn2)O1
InChIInChI=1S/C16H13ClFN3O3/c17-10-3-1-9(2-4-10)14(12-6-5-11(18)7-19-12)21-15(22)13-8-20-16(23)24-13/h1-7,13-14H,8H2,(H,20,23)(H,21,22)/t13-,14?/m0/s1
InChIKeyBJPOYWMHBQONGL-LSLKUGRBSA-N
XLogP2.19
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.75
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5S)-N-[(4-chlorophenyl)-(5-fluoro-2-pyridinyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide?
The IUPAC name of (5S)-N-[(4-chlorophenyl)-(5-fluoro-2-pyridinyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide (CID 162520624) is (5S)-N-[(4-chlorophenyl)-(5-fluoro-2-pyridinyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide.
What is the SMILES notation for (5S)-N-[(4-chlorophenyl)-(5-fluoro-2-pyridinyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide?
The canonical SMILES for (5S)-N-[(4-chlorophenyl)-(5-fluoro-2-pyridinyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide is O=C1NC[C@@H](C(=O)NC(c2ccc(Cl)cc2)c2ccc(F)cn2)O1.
What is the InChIKey of (5S)-N-[(4-chlorophenyl)-(5-fluoro-2-pyridinyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide?
The InChIKey is BJPOYWMHBQONGL-LSLKUGRBSA-N. The full InChI is InChI=1S/C16H13ClFN3O3/c17-10-3-1-9(2-4-10)14(12-6-5-11(18)7-19-12)21-15(22)13-8-20-16(23)24-13/h1-7,13-14H,8H2,(H,20,23)(H,21,22)/t13-,14?/m0/s1.
What are the key properties of (5S)-N-[(4-chlorophenyl)-(5-fluoro-2-pyridinyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide?
(5S)-N-[(4-chlorophenyl)-(5-fluoro-2-pyridinyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide has a molecular weight of 349.75 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-N-[(4-chlorophenyl)-(5-fluoro-2-pyridinyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide is sourced from PubChem (CID 162520624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).