1-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]cyclopropane-1-carboxylic acid

C16H17FN2O5 — CID 23441544

IUPAC1-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]cyclopropane-1-carboxylic acid
SMILESCC(=O)NCC1CN(c2ccc(C3(C(=O)O)CC3)c(F)c2)C(=O)O1
InChIInChI=1S/C16H17FN2O5/c1-9(20)18-7-11-8-19(15(23)24-11)10-2-3-12(13(17)6-10)16(4-5-16)14(21)22/h2-3,6,11H,4-5,7-8H2,1H3,(H,18,20)(H,21,22)
InChIKeyPBLKEAKGQNBXHL-UHFFFAOYSA-N
MW336.32 g/mol
LogP1.40
Rot. Bonds5

About 1-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]cyclopropane-1-carboxylic acid

1-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]cyclopropane-1-carboxylic acid (PubChem CID 23441544) has the molecular formula C16H17FN2O5 and a molecular weight of 336.32 g/mol. Its IUPAC name is 1-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]cyclopropane-1-carboxylic acid
PubChem CID23441544
Molecular FormulaC16H17FN2O5
Molecular Weight336.32 g/mol
Exact Mass336.11
IUPAC Name1-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]cyclopropane-1-carboxylic acid
SMILESCC(=O)NCC1CN(c2ccc(C3(C(=O)O)CC3)c(F)c2)C(=O)O1
InChIInChI=1S/C16H17FN2O5/c1-9(20)18-7-11-8-19(15(23)24-11)10-2-3-12(13(17)6-10)16(4-5-16)14(21)22/h2-3,6,11H,4-5,7-8H2,1H3,(H,18,20)(H,21,22)
InChIKeyPBLKEAKGQNBXHL-UHFFFAOYSA-N
XLogP1.40
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.32
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]cyclopropane-1-carboxylic acid (CID 23441544) is 1-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]cyclopropane-1-carboxylic acid is CC(=O)NCC1CN(c2ccc(C3(C(=O)O)CC3)c(F)c2)C(=O)O1.
What is the InChIKey of 1-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]cyclopropane-1-carboxylic acid?
The InChIKey is PBLKEAKGQNBXHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O5/c1-9(20)18-7-11-8-19(15(23)24-11)10-2-3-12(13(17)6-10)16(4-5-16)14(21)22/h2-3,6,11H,4-5,7-8H2,1H3,(H,18,20)(H,21,22).
What are the key properties of 1-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]cyclopropane-1-carboxylic acid?
1-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]cyclopropane-1-carboxylic acid has a molecular weight of 336.32 g/mol, XLogP of 1.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 23441544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).