N-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-3-(4-fluorophenyl)pentanamide

C18H23FN2O3 — CID 110354906

IUPACN-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-3-(4-fluorophenyl)pentanamide
SMILESCCC(CC(=O)NCC1CN(C2CC2)C(=O)O1)c1ccc(F)cc1
InChIInChI=1S/C18H23FN2O3/c1-2-12(13-3-5-14(19)6-4-13)9-17(22)20-10-16-11-21(15-7-8-15)18(23)24-16/h3-6,12,15-16H,2,7-11H2,1H3,(H,20,22)
InChIKeyCELQOCGLWXSCPM-UHFFFAOYSA-N
MW334.39 g/mol
LogP2.81
Rot. Bonds7

About N-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-3-(4-fluorophenyl)pentanamide

N-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-3-(4-fluorophenyl)pentanamide (PubChem CID 110354906) has the molecular formula C18H23FN2O3 and a molecular weight of 334.39 g/mol. Its IUPAC name is N-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-3-(4-fluorophenyl)pentanamide.

Molecular Properties

Compound NameN-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-3-(4-fluorophenyl)pentanamide
PubChem CID110354906
Molecular FormulaC18H23FN2O3
Molecular Weight334.39 g/mol
Exact Mass334.17
IUPAC NameN-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-3-(4-fluorophenyl)pentanamide
SMILESCCC(CC(=O)NCC1CN(C2CC2)C(=O)O1)c1ccc(F)cc1
InChIInChI=1S/C18H23FN2O3/c1-2-12(13-3-5-14(19)6-4-13)9-17(22)20-10-16-11-21(15-7-8-15)18(23)24-16/h3-6,12,15-16H,2,7-11H2,1H3,(H,20,22)
InChIKeyCELQOCGLWXSCPM-UHFFFAOYSA-N
XLogP2.81
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.39
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-3-(4-fluorophenyl)pentanamide?
The IUPAC name of N-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-3-(4-fluorophenyl)pentanamide (CID 110354906) is N-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-3-(4-fluorophenyl)pentanamide.
What is the SMILES notation for N-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-3-(4-fluorophenyl)pentanamide?
The canonical SMILES for N-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-3-(4-fluorophenyl)pentanamide is CCC(CC(=O)NCC1CN(C2CC2)C(=O)O1)c1ccc(F)cc1.
What is the InChIKey of N-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-3-(4-fluorophenyl)pentanamide?
The InChIKey is CELQOCGLWXSCPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2O3/c1-2-12(13-3-5-14(19)6-4-13)9-17(22)20-10-16-11-21(15-7-8-15)18(23)24-16/h3-6,12,15-16H,2,7-11H2,1H3,(H,20,22).
What are the key properties of N-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-3-(4-fluorophenyl)pentanamide?
N-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-3-(4-fluorophenyl)pentanamide has a molecular weight of 334.39 g/mol, XLogP of 2.81, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-3-(4-fluorophenyl)pentanamide is sourced from PubChem (CID 110354906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).