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

C18H13ClF2N2O2 — CID 16590372

IUPACN-(2-chlorophenyl)-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanamide
SMILESO=C(CCc1ncc(-c2ccc(F)cc2F)o1)Nc1ccccc1Cl
InChIInChI=1S/C18H13ClF2N2O2/c19-13-3-1-2-4-15(13)23-17(24)7-8-18-22-10-16(25-18)12-6-5-11(20)9-14(12)21/h1-6,9-10H,7-8H2,(H,23,24)
InChIKeyGRUREZQELRJEAN-UHFFFAOYSA-N
MW362.76 g/mol
LogP4.84
Rot. Bonds5

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

N-(2-chlorophenyl)-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanamide (PubChem CID 16590372) has the molecular formula C18H13ClF2N2O2 and a molecular weight of 362.76 g/mol. Its IUPAC name is N-(2-chlorophenyl)-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanamide
PubChem CID16590372
Molecular FormulaC18H13ClF2N2O2
Molecular Weight362.76 g/mol
Exact Mass362.06
IUPAC NameN-(2-chlorophenyl)-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanamide
SMILESO=C(CCc1ncc(-c2ccc(F)cc2F)o1)Nc1ccccc1Cl
InChIInChI=1S/C18H13ClF2N2O2/c19-13-3-1-2-4-15(13)23-17(24)7-8-18-22-10-16(25-18)12-6-5-11(20)9-14(12)21/h1-6,9-10H,7-8H2,(H,23,24)
InChIKeyGRUREZQELRJEAN-UHFFFAOYSA-N
XLogP4.84
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.76
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanamide?
The IUPAC name of N-(2-chlorophenyl)-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanamide (CID 16590372) is N-(2-chlorophenyl)-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanamide.
What is the SMILES notation for N-(2-chlorophenyl)-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanamide?
The canonical SMILES for N-(2-chlorophenyl)-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanamide is O=C(CCc1ncc(-c2ccc(F)cc2F)o1)Nc1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanamide?
The InChIKey is GRUREZQELRJEAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClF2N2O2/c19-13-3-1-2-4-15(13)23-17(24)7-8-18-22-10-16(25-18)12-6-5-11(20)9-14(12)21/h1-6,9-10H,7-8H2,(H,23,24).
What are the key properties of N-(2-chlorophenyl)-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanamide?
N-(2-chlorophenyl)-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanamide has a molecular weight of 362.76 g/mol, XLogP of 4.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanamide is sourced from PubChem (CID 16590372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).