1-[4-[(4S)-4-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]cyclopropane-1-carbonitrile

C14H14FN3O2 — CID 67550411

IUPAC1-[4-[(4S)-4-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]cyclopropane-1-carbonitrile
SMILESN#CC1(c2ccc(N3C(=O)OC[C@@H]3CN)cc2F)CC1
InChIInChI=1S/C14H14FN3O2/c15-12-5-9(18-10(6-16)7-20-13(18)19)1-2-11(12)14(8-17)3-4-14/h1-2,5,10H,3-4,6-7,16H2/t10-/m0/s1
InChIKeyJONFEYJEEMYROM-JTQLQIEISA-N
MW275.28 g/mol
LogP1.66
Rot. Bonds3

About 1-[4-[(4S)-4-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]cyclopropane-1-carbonitrile

1-[4-[(4S)-4-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]cyclopropane-1-carbonitrile (PubChem CID 67550411) has the molecular formula C14H14FN3O2 and a molecular weight of 275.28 g/mol. Its IUPAC name is 1-[4-[(4S)-4-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-[4-[(4S)-4-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]cyclopropane-1-carbonitrile
PubChem CID67550411
Molecular FormulaC14H14FN3O2
Molecular Weight275.28 g/mol
Exact Mass275.11
IUPAC Name1-[4-[(4S)-4-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]cyclopropane-1-carbonitrile
SMILESN#CC1(c2ccc(N3C(=O)OC[C@@H]3CN)cc2F)CC1
InChIInChI=1S/C14H14FN3O2/c15-12-5-9(18-10(6-16)7-20-13(18)19)1-2-11(12)14(8-17)3-4-14/h1-2,5,10H,3-4,6-7,16H2/t10-/m0/s1
InChIKeyJONFEYJEEMYROM-JTQLQIEISA-N
XLogP1.66
TPSA79.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.28
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4S)-4-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]cyclopropane-1-carbonitrile?
The IUPAC name of 1-[4-[(4S)-4-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]cyclopropane-1-carbonitrile (CID 67550411) is 1-[4-[(4S)-4-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-[4-[(4S)-4-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]cyclopropane-1-carbonitrile?
The canonical SMILES for 1-[4-[(4S)-4-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]cyclopropane-1-carbonitrile is N#CC1(c2ccc(N3C(=O)OC[C@@H]3CN)cc2F)CC1.
What is the InChIKey of 1-[4-[(4S)-4-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]cyclopropane-1-carbonitrile?
The InChIKey is JONFEYJEEMYROM-JTQLQIEISA-N. The full InChI is InChI=1S/C14H14FN3O2/c15-12-5-9(18-10(6-16)7-20-13(18)19)1-2-11(12)14(8-17)3-4-14/h1-2,5,10H,3-4,6-7,16H2/t10-/m0/s1.
What are the key properties of 1-[4-[(4S)-4-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]cyclopropane-1-carbonitrile?
1-[4-[(4S)-4-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]cyclopropane-1-carbonitrile has a molecular weight of 275.28 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4S)-4-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]cyclopropane-1-carbonitrile is sourced from PubChem (CID 67550411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).