1-[5-[2-fluoro-4-[(5R)-5-(1,2-oxazol-3-yloxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]cyclopropane-1-carbonitrile

C22H17FN4O4 — CID 11407495

IUPAC1-[5-[2-fluoro-4-[(5R)-5-(1,2-oxazol-3-yloxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]cyclopropane-1-carbonitrile
SMILESN#CC1(c2ccc(-c3ccc(N4C[C@H](COc5ccon5)OC4=O)cc3F)cn2)CC1
InChIInChI=1S/C22H17FN4O4/c23-18-9-15(27-11-16(31-21(27)28)12-29-20-5-8-30-26-20)2-3-17(18)14-1-4-19(25-10-14)22(13-24)6-7-22/h1-5,8-10,16H,6-7,11-12H2/t16-/m1/s1
InChIKeyDDHNBOIAAQBATB-MRXNPFEDSA-N
MW420.40 g/mol
LogP3.84
Rot. Bonds6

About 1-[5-[2-fluoro-4-[(5R)-5-(1,2-oxazol-3-yloxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]cyclopropane-1-carbonitrile

1-[5-[2-fluoro-4-[(5R)-5-(1,2-oxazol-3-yloxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]cyclopropane-1-carbonitrile (PubChem CID 11407495) has the molecular formula C22H17FN4O4 and a molecular weight of 420.40 g/mol. Its IUPAC name is 1-[5-[2-fluoro-4-[(5R)-5-(1,2-oxazol-3-yloxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-[5-[2-fluoro-4-[(5R)-5-(1,2-oxazol-3-yloxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]cyclopropane-1-carbonitrile
PubChem CID11407495
Molecular FormulaC22H17FN4O4
Molecular Weight420.40 g/mol
Exact Mass420.12
IUPAC Name1-[5-[2-fluoro-4-[(5R)-5-(1,2-oxazol-3-yloxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]cyclopropane-1-carbonitrile
SMILESN#CC1(c2ccc(-c3ccc(N4C[C@H](COc5ccon5)OC4=O)cc3F)cn2)CC1
InChIInChI=1S/C22H17FN4O4/c23-18-9-15(27-11-16(31-21(27)28)12-29-20-5-8-30-26-20)2-3-17(18)14-1-4-19(25-10-14)22(13-24)6-7-22/h1-5,8-10,16H,6-7,11-12H2/t16-/m1/s1
InChIKeyDDHNBOIAAQBATB-MRXNPFEDSA-N
XLogP3.84
TPSA101.48 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.40
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[5-[2-fluoro-4-[(5R)-5-(1,2-oxazol-3-yloxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]cyclopropane-1-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[2-fluoro-4-[(5R)-5-(1,2-oxazol-3-yloxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]cyclopropane-1-carbonitrile?
The IUPAC name of 1-[5-[2-fluoro-4-[(5R)-5-(1,2-oxazol-3-yloxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]cyclopropane-1-carbonitrile (CID 11407495) is 1-[5-[2-fluoro-4-[(5R)-5-(1,2-oxazol-3-yloxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-[5-[2-fluoro-4-[(5R)-5-(1,2-oxazol-3-yloxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]cyclopropane-1-carbonitrile?
The canonical SMILES for 1-[5-[2-fluoro-4-[(5R)-5-(1,2-oxazol-3-yloxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]cyclopropane-1-carbonitrile is N#CC1(c2ccc(-c3ccc(N4C[C@H](COc5ccon5)OC4=O)cc3F)cn2)CC1.
What is the InChIKey of 1-[5-[2-fluoro-4-[(5R)-5-(1,2-oxazol-3-yloxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]cyclopropane-1-carbonitrile?
The InChIKey is DDHNBOIAAQBATB-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H17FN4O4/c23-18-9-15(27-11-16(31-21(27)28)12-29-20-5-8-30-26-20)2-3-17(18)14-1-4-19(25-10-14)22(13-24)6-7-22/h1-5,8-10,16H,6-7,11-12H2/t16-/m1/s1.
What are the key properties of 1-[5-[2-fluoro-4-[(5R)-5-(1,2-oxazol-3-yloxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]cyclopropane-1-carbonitrile?
1-[5-[2-fluoro-4-[(5R)-5-(1,2-oxazol-3-yloxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]cyclopropane-1-carbonitrile has a molecular weight of 420.40 g/mol, XLogP of 3.84, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[2-fluoro-4-[(5R)-5-(1,2-oxazol-3-yloxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]cyclopropane-1-carbonitrile is sourced from PubChem (CID 11407495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).