[(5R)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl 3-(diethylamino)propanoate

C24H28FN7O4 — CID 162510114

IUPAC[(5R)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl 3-(diethylamino)propanoate
SMILESCCN(CC)CCC(=O)OC[C@H]1CN(c2ccc(-c3ccc(-c4nnn(C)n4)nc3)c(F)c2)C(=O)O1
InChIInChI=1S/C24H28FN7O4/c1-4-31(5-2)11-10-22(33)35-15-18-14-32(24(34)36-18)17-7-8-19(20(25)12-17)16-6-9-21(26-13-16)23-27-29-30(3)28-23/h6-9,12-13,18H,4-5,10-11,14-15H2,1-3H3/t18-/m1/s1
InChIKeyDHAGNWVVVLHHFJ-GOSISDBHSA-N
MW497.53 g/mol
LogP2.68
Rot. Bonds10

About [(5R)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl 3-(diethylamino)propanoate

[(5R)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl 3-(diethylamino)propanoate (PubChem CID 162510114) has the molecular formula C24H28FN7O4 and a molecular weight of 497.53 g/mol. Its IUPAC name is [(5R)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl 3-(diethylamino)propanoate.

Molecular Properties

Compound Name[(5R)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl 3-(diethylamino)propanoate
PubChem CID162510114
Molecular FormulaC24H28FN7O4
Molecular Weight497.53 g/mol
Exact Mass497.22
IUPAC Name[(5R)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl 3-(diethylamino)propanoate
SMILESCCN(CC)CCC(=O)OC[C@H]1CN(c2ccc(-c3ccc(-c4nnn(C)n4)nc3)c(F)c2)C(=O)O1
InChIInChI=1S/C24H28FN7O4/c1-4-31(5-2)11-10-22(33)35-15-18-14-32(24(34)36-18)17-7-8-19(20(25)12-17)16-6-9-21(26-13-16)23-27-29-30(3)28-23/h6-9,12-13,18H,4-5,10-11,14-15H2,1-3H3/t18-/m1/s1
InChIKeyDHAGNWVVVLHHFJ-GOSISDBHSA-N
XLogP2.68
TPSA115.57 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.53
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Related Compounds

[3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl 2-aminoacetate
CID 72783304
[(2S)-1-[[(5R)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methoxy]-3-methyl-1-oxobutan-2-yl]azanium
CID 59515984
[(5R)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl (2S)-2-aminopropanoate
CID 11467041
disodium;[(5R)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl phosphonatoformate
CID 54586062
5-(fluoromethyl)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-1,3-oxazolidin-2-one
CID 72752411
bis[[(5R)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl] hydrogen phosphate
CID 59477107
CID 131886043
CID 131886043
[(5R)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl (2S)-pyrrolidine-2-carboxylate;2,2,2-trifluoroacetic acid
CID 11169190
2-amino-N-[[(5S)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 58917774
(5R)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-5-methyl-1,3-oxazolidin-2-one
CID 67012308
(2S)-2-[3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]propanamide
CID 174461396
[[(5R)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methoxy-hydroxy-methylidene-λ5-phosphanyl] [(5R)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl hydrogen phosphate
CID 130465186

Frequently Asked Questions

What is the IUPAC name of [(5R)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl 3-(diethylamino)propanoate?
The IUPAC name of [(5R)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl 3-(diethylamino)propanoate (CID 162510114) is [(5R)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl 3-(diethylamino)propanoate.
What is the SMILES notation for [(5R)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl 3-(diethylamino)propanoate?
The canonical SMILES for [(5R)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl 3-(diethylamino)propanoate is CCN(CC)CCC(=O)OC[C@H]1CN(c2ccc(-c3ccc(-c4nnn(C)n4)nc3)c(F)c2)C(=O)O1.
What is the InChIKey of [(5R)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl 3-(diethylamino)propanoate?
The InChIKey is DHAGNWVVVLHHFJ-GOSISDBHSA-N. The full InChI is InChI=1S/C24H28FN7O4/c1-4-31(5-2)11-10-22(33)35-15-18-14-32(24(34)36-18)17-7-8-19(20(25)12-17)16-6-9-21(26-13-16)23-27-29-30(3)28-23/h6-9,12-13,18H,4-5,10-11,14-15H2,1-3H3/t18-/m1/s1.
What are the key properties of [(5R)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl 3-(diethylamino)propanoate?
[(5R)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl 3-(diethylamino)propanoate has a molecular weight of 497.53 g/mol, XLogP of 2.68, 10 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [(5R)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl 3-(diethylamino)propanoate is sourced from PubChem (CID 162510114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).