N-[[(5S)-3-[3,5-difluoro-4-[6-[5-(1,3-oxazol-4-yl)thiophen-2-yl]-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

C24H18F2N4O4S — CID 11698919

IUPACN-[[(5S)-3-[3,5-difluoro-4-[6-[5-(1,3-oxazol-4-yl)thiophen-2-yl]-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2cc(F)c(-c3ccc(-c4ccc(-c5cocn5)s4)nc3)c(F)c2)C(=O)O1
InChIInChI=1S/C24H18F2N4O4S/c1-13(31)27-9-16-10-30(24(32)34-16)15-6-17(25)23(18(26)7-15)14-2-3-19(28-8-14)21-4-5-22(35-21)20-11-33-12-29-20/h2-8,11-12,16H,9-10H2,1H3,(H,27,31)/t16-/m0/s1
InChIKeySOJOUQNNXTTYFE-INIZCTEOSA-N
MW496.50 g/mol
LogP4.87
Rot. Bonds6

About N-[[(5S)-3-[3,5-difluoro-4-[6-[5-(1,3-oxazol-4-yl)thiophen-2-yl]-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

N-[[(5S)-3-[3,5-difluoro-4-[6-[5-(1,3-oxazol-4-yl)thiophen-2-yl]-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 11698919) has the molecular formula C24H18F2N4O4S and a molecular weight of 496.50 g/mol. Its IUPAC name is N-[[(5S)-3-[3,5-difluoro-4-[6-[5-(1,3-oxazol-4-yl)thiophen-2-yl]-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(5S)-3-[3,5-difluoro-4-[6-[5-(1,3-oxazol-4-yl)thiophen-2-yl]-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID11698919
Molecular FormulaC24H18F2N4O4S
Molecular Weight496.50 g/mol
Exact Mass496.10
IUPAC NameN-[[(5S)-3-[3,5-difluoro-4-[6-[5-(1,3-oxazol-4-yl)thiophen-2-yl]-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2cc(F)c(-c3ccc(-c4ccc(-c5cocn5)s4)nc3)c(F)c2)C(=O)O1
InChIInChI=1S/C24H18F2N4O4S/c1-13(31)27-9-16-10-30(24(32)34-16)15-6-17(25)23(18(26)7-15)14-2-3-19(28-8-14)21-4-5-22(35-21)20-11-33-12-29-20/h2-8,11-12,16H,9-10H2,1H3,(H,27,31)/t16-/m0/s1
InChIKeySOJOUQNNXTTYFE-INIZCTEOSA-N
XLogP4.87
TPSA97.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.50
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-[3,5-difluoro-4-[6-[5-(1,3-oxazol-4-yl)thiophen-2-yl]-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[(5S)-3-[3,5-difluoro-4-[6-[5-(1,3-oxazol-4-yl)thiophen-2-yl]-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 11698919) is N-[[(5S)-3-[3,5-difluoro-4-[6-[5-(1,3-oxazol-4-yl)thiophen-2-yl]-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[(5S)-3-[3,5-difluoro-4-[6-[5-(1,3-oxazol-4-yl)thiophen-2-yl]-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[(5S)-3-[3,5-difluoro-4-[6-[5-(1,3-oxazol-4-yl)thiophen-2-yl]-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NC[C@H]1CN(c2cc(F)c(-c3ccc(-c4ccc(-c5cocn5)s4)nc3)c(F)c2)C(=O)O1.
What is the InChIKey of N-[[(5S)-3-[3,5-difluoro-4-[6-[5-(1,3-oxazol-4-yl)thiophen-2-yl]-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is SOJOUQNNXTTYFE-INIZCTEOSA-N. The full InChI is InChI=1S/C24H18F2N4O4S/c1-13(31)27-9-16-10-30(24(32)34-16)15-6-17(25)23(18(26)7-15)14-2-3-19(28-8-14)21-4-5-22(35-21)20-11-33-12-29-20/h2-8,11-12,16H,9-10H2,1H3,(H,27,31)/t16-/m0/s1.
What are the key properties of N-[[(5S)-3-[3,5-difluoro-4-[6-[5-(1,3-oxazol-4-yl)thiophen-2-yl]-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[(5S)-3-[3,5-difluoro-4-[6-[5-(1,3-oxazol-4-yl)thiophen-2-yl]-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 496.50 g/mol, XLogP of 4.87, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5S)-3-[3,5-difluoro-4-[6-[5-(1,3-oxazol-4-yl)thiophen-2-yl]-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 11698919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).