(2R)-2-(2-chloro-4-fluorophenoxy)-N-(5-methyl-1,2-oxazol-3-yl)propanamide

C13H12ClFN2O3 — CID 40972075

IUPAC(2R)-2-(2-chloro-4-fluorophenoxy)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCc1cc(NC(=O)[C@@H](C)Oc2ccc(F)cc2Cl)no1
InChIInChI=1S/C13H12ClFN2O3/c1-7-5-12(17-20-7)16-13(18)8(2)19-11-4-3-9(15)6-10(11)14/h3-6,8H,1-2H3,(H,16,17,18)/t8-/m1/s1
InChIKeyZDTKDGFCNZFUOT-MRVPVSSYSA-N
MW298.70 g/mol
LogP3.18
Rot. Bonds4

About (2R)-2-(2-chloro-4-fluorophenoxy)-N-(5-methyl-1,2-oxazol-3-yl)propanamide

(2R)-2-(2-chloro-4-fluorophenoxy)-N-(5-methyl-1,2-oxazol-3-yl)propanamide (PubChem CID 40972075) has the molecular formula C13H12ClFN2O3 and a molecular weight of 298.70 g/mol. Its IUPAC name is (2R)-2-(2-chloro-4-fluorophenoxy)-N-(5-methyl-1,2-oxazol-3-yl)propanamide.

Molecular Properties

Compound Name(2R)-2-(2-chloro-4-fluorophenoxy)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
PubChem CID40972075
Molecular FormulaC13H12ClFN2O3
Molecular Weight298.70 g/mol
Exact Mass298.05
IUPAC Name(2R)-2-(2-chloro-4-fluorophenoxy)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCc1cc(NC(=O)[C@@H](C)Oc2ccc(F)cc2Cl)no1
InChIInChI=1S/C13H12ClFN2O3/c1-7-5-12(17-20-7)16-13(18)8(2)19-11-4-3-9(15)6-10(11)14/h3-6,8H,1-2H3,(H,16,17,18)/t8-/m1/s1
InChIKeyZDTKDGFCNZFUOT-MRVPVSSYSA-N
XLogP3.18
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.70
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(2-chloro-5-methylphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 40647462
2-(2-chloro-5-methylphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 4512597
[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 2-(2-bromo-4-fluorophenoxy)acetate
CID 8737806
2-(2-chloro-4-fluorophenoxy)-N-(2,4-dichlorophenyl)propanamide
CID 112778697
2-(2-chloro-4-fluorophenoxy)-N-[2-(methylamino)ethyl]propanamide
CID 119504495
(2R)-2-(2-chloro-4-fluorophenoxy)-N-naphthalen-1-ylpropanamide
CID 2537239
2-(2,4-dichlorophenoxy)-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 17249236
(2R)-N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(2,4-dichlorophenoxy)propanamide
CID 35524710
methyl 3-methoxy-4-[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]oxybenzoate
CID 24511790
(2S)-2-(4-ethylphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 40636839
2-[(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]oxy-N-phenylbenzamide
CID 41176934
(2S)-2-(2-chloro-4-fluorophenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 7610324

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-chloro-4-fluorophenoxy)-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The IUPAC name of (2R)-2-(2-chloro-4-fluorophenoxy)-N-(5-methyl-1,2-oxazol-3-yl)propanamide (CID 40972075) is (2R)-2-(2-chloro-4-fluorophenoxy)-N-(5-methyl-1,2-oxazol-3-yl)propanamide.
What is the SMILES notation for (2R)-2-(2-chloro-4-fluorophenoxy)-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The canonical SMILES for (2R)-2-(2-chloro-4-fluorophenoxy)-N-(5-methyl-1,2-oxazol-3-yl)propanamide is Cc1cc(NC(=O)[C@@H](C)Oc2ccc(F)cc2Cl)no1.
What is the InChIKey of (2R)-2-(2-chloro-4-fluorophenoxy)-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The InChIKey is ZDTKDGFCNZFUOT-MRVPVSSYSA-N. The full InChI is InChI=1S/C13H12ClFN2O3/c1-7-5-12(17-20-7)16-13(18)8(2)19-11-4-3-9(15)6-10(11)14/h3-6,8H,1-2H3,(H,16,17,18)/t8-/m1/s1.
What are the key properties of (2R)-2-(2-chloro-4-fluorophenoxy)-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
(2R)-2-(2-chloro-4-fluorophenoxy)-N-(5-methyl-1,2-oxazol-3-yl)propanamide has a molecular weight of 298.70 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-chloro-4-fluorophenoxy)-N-(5-methyl-1,2-oxazol-3-yl)propanamide is sourced from PubChem (CID 40972075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).