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

C19H16ClFN2O2 — CID 53161786

IUPACN-[(2-chlorophenyl)methyl]-3-[3-(3-fluorophenyl)-1,2-oxazol-4-yl]propanamide
SMILESO=C(CCc1conc1-c1cccc(F)c1)NCc1ccccc1Cl
InChIInChI=1S/C19H16ClFN2O2/c20-17-7-2-1-4-14(17)11-22-18(24)9-8-15-12-25-23-19(15)13-5-3-6-16(21)10-13/h1-7,10,12H,8-9,11H2,(H,22,24)
InChIKeyKCRDJUGWIJOGSL-UHFFFAOYSA-N
MW358.80 g/mol
LogP4.38
Rot. Bonds6

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

N-[(2-chlorophenyl)methyl]-3-[3-(3-fluorophenyl)-1,2-oxazol-4-yl]propanamide (PubChem CID 53161786) has the molecular formula C19H16ClFN2O2 and a molecular weight of 358.80 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-3-[3-(3-fluorophenyl)-1,2-oxazol-4-yl]propanamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-3-[3-(3-fluorophenyl)-1,2-oxazol-4-yl]propanamide
PubChem CID53161786
Molecular FormulaC19H16ClFN2O2
Molecular Weight358.80 g/mol
Exact Mass358.09
IUPAC NameN-[(2-chlorophenyl)methyl]-3-[3-(3-fluorophenyl)-1,2-oxazol-4-yl]propanamide
SMILESO=C(CCc1conc1-c1cccc(F)c1)NCc1ccccc1Cl
InChIInChI=1S/C19H16ClFN2O2/c20-17-7-2-1-4-14(17)11-22-18(24)9-8-15-12-25-23-19(15)13-5-3-6-16(21)10-13/h1-7,10,12H,8-9,11H2,(H,22,24)
InChIKeyKCRDJUGWIJOGSL-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-chloro-4-fluorophenyl)methyl]-3-(3-phenyl-1,2-oxazol-4-yl)propanamide
CID 71839873
N-benzyl-3-[3-(3-fluorophenyl)-1,2-oxazol-4-yl]propanamide
CID 53161773
N-(cyclopropylmethyl)-3-[3-(3-fluorophenyl)-1,2-oxazol-4-yl]propanamide
CID 53161791
N-[(2-methylphenyl)methyl]-3-[3-(3-methylphenyl)-1,2-oxazol-4-yl]propanamide
CID 71839806
N-[(4-chlorophenyl)methyl]-3-[3-(3-methylphenyl)-1,2-oxazol-4-yl]propanamide
CID 71839812
N-[(4-chlorophenyl)methyl]-3-[3-(4-fluorophenyl)-1,2-oxazol-4-yl]propanamide
CID 71839779
N-[(2-chlorophenyl)methyl]-3-(3-fluoroanilino)propanamide
CID 109021434
N-[(2-chlorophenyl)methyl]-3-[5-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]propanamide
CID 56603107
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-[(4-methylphenyl)methyl]-3-[3-(4-methylphenyl)-1,2-oxazol-4-yl]propanamide
CID 71839834
N-[(2-chlorophenyl)methyl]-2-[2-(3-fluorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]acetamide
CID 51369046

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-3-[3-(3-fluorophenyl)-1,2-oxazol-4-yl]propanamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-3-[3-(3-fluorophenyl)-1,2-oxazol-4-yl]propanamide (CID 53161786) is N-[(2-chlorophenyl)methyl]-3-[3-(3-fluorophenyl)-1,2-oxazol-4-yl]propanamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-3-[3-(3-fluorophenyl)-1,2-oxazol-4-yl]propanamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-3-[3-(3-fluorophenyl)-1,2-oxazol-4-yl]propanamide is O=C(CCc1conc1-c1cccc(F)c1)NCc1ccccc1Cl.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-3-[3-(3-fluorophenyl)-1,2-oxazol-4-yl]propanamide?
The InChIKey is KCRDJUGWIJOGSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClFN2O2/c20-17-7-2-1-4-14(17)11-22-18(24)9-8-15-12-25-23-19(15)13-5-3-6-16(21)10-13/h1-7,10,12H,8-9,11H2,(H,22,24).
What are the key properties of N-[(2-chlorophenyl)methyl]-3-[3-(3-fluorophenyl)-1,2-oxazol-4-yl]propanamide?
N-[(2-chlorophenyl)methyl]-3-[3-(3-fluorophenyl)-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-chlorophenyl)methyl]-3-[3-(3-fluorophenyl)-1,2-oxazol-4-yl]propanamide is sourced from PubChem (CID 53161786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).