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

C19H17F2N7O4 — CID 25184747

IUPACmethyl N-[[(5S)-3-[2,3-difluoro-4-[6-(1-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate
SMILESCOC(=O)NC[C@H]1CN(c2ccc(-c3ccc(-c4nnnn4C)nc3)c(F)c2F)C(=O)O1
InChIInChI=1S/C19H17F2N7O4/c1-27-17(24-25-26-27)13-5-3-10(7-22-13)12-4-6-14(16(21)15(12)20)28-9-11(32-19(28)30)8-23-18(29)31-2/h3-7,11H,8-9H2,1-2H3,(H,23,29)/t11-/m0/s1
InChIKeyHKDKAVMGAIKIHQ-NSHDSACASA-N
MW445.39 g/mol
LogP1.90
Rot. Bonds5

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

methyl N-[[(5S)-3-[2,3-difluoro-4-[6-(1-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate (PubChem CID 25184747) has the molecular formula C19H17F2N7O4 and a molecular weight of 445.39 g/mol. Its IUPAC name is methyl N-[[(5S)-3-[2,3-difluoro-4-[6-(1-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate.

Molecular Properties

Compound Namemethyl N-[[(5S)-3-[2,3-difluoro-4-[6-(1-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate
PubChem CID25184747
Molecular FormulaC19H17F2N7O4
Molecular Weight445.39 g/mol
Exact Mass445.13
IUPAC Namemethyl N-[[(5S)-3-[2,3-difluoro-4-[6-(1-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate
SMILESCOC(=O)NC[C@H]1CN(c2ccc(-c3ccc(-c4nnnn4C)nc3)c(F)c2F)C(=O)O1
InChIInChI=1S/C19H17F2N7O4/c1-27-17(24-25-26-27)13-5-3-10(7-22-13)12-4-6-14(16(21)15(12)20)28-9-11(32-19(28)30)8-23-18(29)31-2/h3-7,11H,8-9H2,1-2H3,(H,23,29)/t11-/m0/s1
InChIKeyHKDKAVMGAIKIHQ-NSHDSACASA-N
XLogP1.90
TPSA124.36 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.39
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of methyl N-[[(5S)-3-[2,3-difluoro-4-[6-(1-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate?
The IUPAC name of methyl N-[[(5S)-3-[2,3-difluoro-4-[6-(1-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate (CID 25184747) is methyl N-[[(5S)-3-[2,3-difluoro-4-[6-(1-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate.
What is the SMILES notation for methyl N-[[(5S)-3-[2,3-difluoro-4-[6-(1-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate?
The canonical SMILES for methyl N-[[(5S)-3-[2,3-difluoro-4-[6-(1-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate is COC(=O)NC[C@H]1CN(c2ccc(-c3ccc(-c4nnnn4C)nc3)c(F)c2F)C(=O)O1.
What is the InChIKey of methyl N-[[(5S)-3-[2,3-difluoro-4-[6-(1-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate?
The InChIKey is HKDKAVMGAIKIHQ-NSHDSACASA-N. The full InChI is InChI=1S/C19H17F2N7O4/c1-27-17(24-25-26-27)13-5-3-10(7-22-13)12-4-6-14(16(21)15(12)20)28-9-11(32-19(28)30)8-23-18(29)31-2/h3-7,11H,8-9H2,1-2H3,(H,23,29)/t11-/m0/s1.
What are the key properties of methyl N-[[(5S)-3-[2,3-difluoro-4-[6-(1-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate?
methyl N-[[(5S)-3-[2,3-difluoro-4-[6-(1-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate has a molecular weight of 445.39 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[[(5S)-3-[2,3-difluoro-4-[6-(1-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate is sourced from PubChem (CID 25184747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).