N-[(2-chloro-4-fluorophenyl)methyl]-3-(3-phenyl-1,2-oxazol-4-yl)propanamide

C19H16ClFN2O2 — CID 71839873

IUPACN-[(2-chloro-4-fluorophenyl)methyl]-3-(3-phenyl-1,2-oxazol-4-yl)propanamide
SMILESO=C(CCc1conc1-c1ccccc1)NCc1ccc(F)cc1Cl
InChIInChI=1S/C19H16ClFN2O2/c20-17-10-16(21)8-6-14(17)11-22-18(24)9-7-15-12-25-23-19(15)13-4-2-1-3-5-13/h1-6,8,10,12H,7,9,11H2,(H,22,24)
InChIKeyWETDXRBURRDESB-UHFFFAOYSA-N
MW358.80 g/mol
LogP4.38
Rot. Bonds6

About N-[(2-chloro-4-fluorophenyl)methyl]-3-(3-phenyl-1,2-oxazol-4-yl)propanamide

N-[(2-chloro-4-fluorophenyl)methyl]-3-(3-phenyl-1,2-oxazol-4-yl)propanamide (PubChem CID 71839873) has the molecular formula C19H16ClFN2O2 and a molecular weight of 358.80 g/mol. Its IUPAC name is N-[(2-chloro-4-fluorophenyl)methyl]-3-(3-phenyl-1,2-oxazol-4-yl)propanamide.

Molecular Properties

Compound NameN-[(2-chloro-4-fluorophenyl)methyl]-3-(3-phenyl-1,2-oxazol-4-yl)propanamide
PubChem CID71839873
Molecular FormulaC19H16ClFN2O2
Molecular Weight358.80 g/mol
Exact Mass358.09
IUPAC NameN-[(2-chloro-4-fluorophenyl)methyl]-3-(3-phenyl-1,2-oxazol-4-yl)propanamide
SMILESO=C(CCc1conc1-c1ccccc1)NCc1ccc(F)cc1Cl
InChIInChI=1S/C19H16ClFN2O2/c20-17-10-16(21)8-6-14(17)11-22-18(24)9-7-15-12-25-23-19(15)13-4-2-1-3-5-13/h1-6,8,10,12H,7,9,11H2,(H,22,24)
InChIKeyWETDXRBURRDESB-UHFFFAOYSA-N
XLogP4.38
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.80
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-chlorophenyl)methyl]-3-[3-(3-fluorophenyl)-1,2-oxazol-4-yl]propanamide
CID 53161786
N-benzyl-3-[3-(3-fluorophenyl)-1,2-oxazol-4-yl]propanamide
CID 53161773
N-[(4-chlorophenyl)methyl]-3-[3-(4-fluorophenyl)-1,2-oxazol-4-yl]propanamide
CID 71839779
3-(3-phenyl-1,2-oxazol-4-yl)-N-[(4-propan-2-ylphenyl)methyl]propanamide
CID 71839854
3-[3-(4-fluorophenyl)-1,2-oxazol-4-yl]-N-[(4-propan-2-ylphenyl)methyl]propanamide
CID 71839755
N-[(2-chloro-4-fluorophenyl)methyl]-3-(3-phenyl-4-piperidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl)propanamide
CID 53115779
N-[(2-methylphenyl)methyl]-3-[3-(3-methylphenyl)-1,2-oxazol-4-yl]propanamide
CID 71839806
N-(cyclopropylmethyl)-3-[3-(3-fluorophenyl)-1,2-oxazol-4-yl]propanamide
CID 53161791
N-[(4-chlorophenyl)methyl]-3-[3-(3-methylphenyl)-1,2-oxazol-4-yl]propanamide
CID 71839812
N-[(2-chloro-4-fluorophenyl)methyl]-2-[(6-methyl-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)oxy]acetamide
CID 53107791
N-(cyclohexylmethyl)-3-(3-phenyl-1,2-oxazol-4-yl)propanamide
CID 71839867
N-[(4-methylphenyl)methyl]-3-[3-(4-methylphenyl)-1,2-oxazol-4-yl]propanamide
CID 71839834

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-4-fluorophenyl)methyl]-3-(3-phenyl-1,2-oxazol-4-yl)propanamide?
The IUPAC name of N-[(2-chloro-4-fluorophenyl)methyl]-3-(3-phenyl-1,2-oxazol-4-yl)propanamide (CID 71839873) is N-[(2-chloro-4-fluorophenyl)methyl]-3-(3-phenyl-1,2-oxazol-4-yl)propanamide.
What is the SMILES notation for N-[(2-chloro-4-fluorophenyl)methyl]-3-(3-phenyl-1,2-oxazol-4-yl)propanamide?
The canonical SMILES for N-[(2-chloro-4-fluorophenyl)methyl]-3-(3-phenyl-1,2-oxazol-4-yl)propanamide is O=C(CCc1conc1-c1ccccc1)NCc1ccc(F)cc1Cl.
What is the InChIKey of N-[(2-chloro-4-fluorophenyl)methyl]-3-(3-phenyl-1,2-oxazol-4-yl)propanamide?
The InChIKey is WETDXRBURRDESB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClFN2O2/c20-17-10-16(21)8-6-14(17)11-22-18(24)9-7-15-12-25-23-19(15)13-4-2-1-3-5-13/h1-6,8,10,12H,7,9,11H2,(H,22,24).
What are the key properties of N-[(2-chloro-4-fluorophenyl)methyl]-3-(3-phenyl-1,2-oxazol-4-yl)propanamide?
N-[(2-chloro-4-fluorophenyl)methyl]-3-(3-phenyl-1,2-oxazol-4-yl)propanamide has a molecular weight of 358.80 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-4-fluorophenyl)methyl]-3-(3-phenyl-1,2-oxazol-4-yl)propanamide is sourced from PubChem (CID 71839873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).