(2R)-N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-2-(2-fluorophenoxy)propanamide

C18H14ClFN2O3 — CID 35042818

IUPAC(2R)-N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-2-(2-fluorophenoxy)propanamide
SMILESC[C@@H](Oc1ccccc1F)C(=O)Nc1cc(-c2ccc(Cl)cc2)no1
InChIInChI=1S/C18H14ClFN2O3/c1-11(24-16-5-3-2-4-14(16)20)18(23)21-17-10-15(22-25-17)12-6-8-13(19)9-7-12/h2-11H,1H3,(H,21,23)/t11-/m1/s1
InChIKeySAEKXWPKPDQSFK-LLVKDONJSA-N
MW360.77 g/mol
LogP4.54
Rot. Bonds5

About (2R)-N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-2-(2-fluorophenoxy)propanamide

(2R)-N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-2-(2-fluorophenoxy)propanamide (PubChem CID 35042818) has the molecular formula C18H14ClFN2O3 and a molecular weight of 360.77 g/mol. Its IUPAC name is (2R)-N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-2-(2-fluorophenoxy)propanamide.

Molecular Properties

Compound Name(2R)-N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-2-(2-fluorophenoxy)propanamide
PubChem CID35042818
Molecular FormulaC18H14ClFN2O3
Molecular Weight360.77 g/mol
Exact Mass360.07
IUPAC Name(2R)-N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-2-(2-fluorophenoxy)propanamide
SMILESC[C@@H](Oc1ccccc1F)C(=O)Nc1cc(-c2ccc(Cl)cc2)no1
InChIInChI=1S/C18H14ClFN2O3/c1-11(24-16-5-3-2-4-14(16)20)18(23)21-17-10-15(22-25-17)12-6-8-13(19)9-7-12/h2-11H,1H3,(H,21,23)/t11-/m1/s1
InChIKeySAEKXWPKPDQSFK-LLVKDONJSA-N
XLogP4.54
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.77
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-fluorophenoxy)-N-(3-phenyl-1,2-oxazol-5-yl)propanamide
CID 17013988
N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]acetamide
CID 112503051
(2R)-2-(2-fluorophenoxy)-N-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]propanamide
CID 39868107
N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-2,6-dimethoxybenzamide
CID 112503065
(2S)-N-(3-chlorophenyl)-2-(2-fluorophenoxy)propanamide
CID 887599
(2R)-N-(2,4-dichlorophenyl)-2-(2-fluorophenoxy)propanamide
CID 7815023
2-(3,5-dimethylphenoxy)-N-(3-phenyl-1,2-oxazol-5-yl)propanamide
CID 17013983
2-(2-fluorophenoxy)-N-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]propanamide
CID 50754153
N-(5-chloro-2-methoxyphenyl)-2-(2-fluorophenoxy)propanamide
CID 3318555
N-(2,5-difluorophenyl)-2-(2-fluorophenoxy)propanamide
CID 86909512
2-(4-bromo-2-fluorophenoxy)-N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]propanamide
CID 154811264
(2R)-2-(2-fluorophenoxy)-N-(4-propan-2-ylphenyl)propanamide
CID 7815253

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-2-(2-fluorophenoxy)propanamide?
The IUPAC name of (2R)-N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-2-(2-fluorophenoxy)propanamide (CID 35042818) is (2R)-N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-2-(2-fluorophenoxy)propanamide.
What is the SMILES notation for (2R)-N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-2-(2-fluorophenoxy)propanamide?
The canonical SMILES for (2R)-N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-2-(2-fluorophenoxy)propanamide is C[C@@H](Oc1ccccc1F)C(=O)Nc1cc(-c2ccc(Cl)cc2)no1.
What is the InChIKey of (2R)-N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-2-(2-fluorophenoxy)propanamide?
The InChIKey is SAEKXWPKPDQSFK-LLVKDONJSA-N. The full InChI is InChI=1S/C18H14ClFN2O3/c1-11(24-16-5-3-2-4-14(16)20)18(23)21-17-10-15(22-25-17)12-6-8-13(19)9-7-12/h2-11H,1H3,(H,21,23)/t11-/m1/s1.
What are the key properties of (2R)-N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-2-(2-fluorophenoxy)propanamide?
(2R)-N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-2-(2-fluorophenoxy)propanamide has a molecular weight of 360.77 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-2-(2-fluorophenoxy)propanamide is sourced from PubChem (CID 35042818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).