N-[(2,3-dichlorophenyl)methyl]-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide

C20H16Cl2F2N2O2 — CID 29415847

IUPACN-[(2,3-dichlorophenyl)methyl]-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide
SMILESCN(Cc1cccc(Cl)c1Cl)C(=O)CCc1ncc(-c2ccc(F)cc2F)o1
InChIInChI=1S/C20H16Cl2F2N2O2/c1-26(11-12-3-2-4-15(21)20(12)22)19(27)8-7-18-25-10-17(28-18)14-6-5-13(23)9-16(14)24/h2-6,9-10H,7-8,11H2,1H3
InChIKeyGNVXCHWHGOTJCD-UHFFFAOYSA-N
MW425.26 g/mol
LogP5.52
Rot. Bonds6

About N-[(2,3-dichlorophenyl)methyl]-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide

N-[(2,3-dichlorophenyl)methyl]-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide (PubChem CID 29415847) has the molecular formula C20H16Cl2F2N2O2 and a molecular weight of 425.26 g/mol. Its IUPAC name is N-[(2,3-dichlorophenyl)methyl]-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide.

Molecular Properties

Compound NameN-[(2,3-dichlorophenyl)methyl]-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide
PubChem CID29415847
Molecular FormulaC20H16Cl2F2N2O2
Molecular Weight425.26 g/mol
Exact Mass424.06
IUPAC NameN-[(2,3-dichlorophenyl)methyl]-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide
SMILESCN(Cc1cccc(Cl)c1Cl)C(=O)CCc1ncc(-c2ccc(F)cc2F)o1
InChIInChI=1S/C20H16Cl2F2N2O2/c1-26(11-12-3-2-4-15(21)20(12)22)19(27)8-7-18-25-10-17(28-18)14-6-5-13(23)9-16(14)24/h2-6,9-10H,7-8,11H2,1H3
InChIKeyGNVXCHWHGOTJCD-UHFFFAOYSA-N
XLogP5.52
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.26
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoyl-methylamino]methyl]benzamide
CID 55920671
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[(2,4-difluorophenyl)methyl]-N-methylpropanamide
CID 38229038
3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-(1-phenylethyl)propanamide
CID 51312353
N-benzyl-3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide
CID 29413645
N-[(2,4-dimethylphenyl)methyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide
CID 18168838
3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-[(2-methylphenyl)methyl]propanamide
CID 30533858
N-(1,3-benzoxazol-2-yl)-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide
CID 167774022
N-[(3-chlorophenyl)methyl]-3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide
CID 18135934
3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[(3-fluorophenyl)methyl]-N-methylpropanamide
CID 43039223
(2-fluorophenyl)methyl 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoate
CID 55486440
3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-pyrrolidin-3-ylpropanamide;dihydrochloride
CID 119551955
3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]propanamide
CID 35437793

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dichlorophenyl)methyl]-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide?
The IUPAC name of N-[(2,3-dichlorophenyl)methyl]-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide (CID 29415847) is N-[(2,3-dichlorophenyl)methyl]-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide.
What is the SMILES notation for N-[(2,3-dichlorophenyl)methyl]-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide?
The canonical SMILES for N-[(2,3-dichlorophenyl)methyl]-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide is CN(Cc1cccc(Cl)c1Cl)C(=O)CCc1ncc(-c2ccc(F)cc2F)o1.
What is the InChIKey of N-[(2,3-dichlorophenyl)methyl]-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide?
The InChIKey is GNVXCHWHGOTJCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16Cl2F2N2O2/c1-26(11-12-3-2-4-15(21)20(12)22)19(27)8-7-18-25-10-17(28-18)14-6-5-13(23)9-16(14)24/h2-6,9-10H,7-8,11H2,1H3.
What are the key properties of N-[(2,3-dichlorophenyl)methyl]-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide?
N-[(2,3-dichlorophenyl)methyl]-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide has a molecular weight of 425.26 g/mol, XLogP of 5.52, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dichlorophenyl)methyl]-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide is sourced from PubChem (CID 29415847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).