methyl 2-[3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-2-methylbutanoate

C18H20F2N2O4 — CID 47089695

IUPACmethyl 2-[3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-2-methylbutanoate
SMILESCCC(C)(NC(=O)CCc1ncc(-c2ccc(F)cc2F)o1)C(=O)OC
InChIInChI=1S/C18H20F2N2O4/c1-4-18(2,17(24)25-3)22-15(23)7-8-16-21-10-14(26-16)12-6-5-11(19)9-13(12)20/h5-6,9-10H,4,7-8H2,1-3H3,(H,22,23)
InChIKeyQQQODWFUGFFDAQ-UHFFFAOYSA-N
MW366.36 g/mol
LogP3.01
Rot. Bonds7

About methyl 2-[3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-2-methylbutanoate

methyl 2-[3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-2-methylbutanoate (PubChem CID 47089695) has the molecular formula C18H20F2N2O4 and a molecular weight of 366.36 g/mol. Its IUPAC name is methyl 2-[3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-2-methylbutanoate.

Molecular Properties

Compound Namemethyl 2-[3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-2-methylbutanoate
PubChem CID47089695
Molecular FormulaC18H20F2N2O4
Molecular Weight366.36 g/mol
Exact Mass366.14
IUPAC Namemethyl 2-[3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-2-methylbutanoate
SMILESCCC(C)(NC(=O)CCc1ncc(-c2ccc(F)cc2F)o1)C(=O)OC
InChIInChI=1S/C18H20F2N2O4/c1-4-18(2,17(24)25-3)22-15(23)7-8-16-21-10-14(26-16)12-6-5-11(19)9-13(12)20/h5-6,9-10H,4,7-8H2,1-3H3,(H,22,23)
InChIKeyQQQODWFUGFFDAQ-UHFFFAOYSA-N
XLogP3.01
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.36
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[2-oxo-2-(propylamino)ethyl]propanamide
CID 18162891
N-(2-aminoethyl)-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 119383503
3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[(4-methoxyphenyl)methyl]propanamide
CID 16596736
3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[2-(methylamino)ethyl]propanamide;dihydrochloride
CID 119501785
3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[1-(4-ethylphenyl)ethyl]propanamide
CID 134036413
N-(3,5-dichlorophenyl)-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 16590665
3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 16593746
3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[[2-(ethoxymethyl)phenyl]methyl]propanamide
CID 37397863
3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-(1,3-thiazol-2-yl)propanamide
CID 16590473
3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]propanamide
CID 87043584
3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-(2,3-dimethylphenyl)propanamide
CID 17437155
4-chloro-N'-[3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoyl]benzohydrazide
CID 55485978

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-2-methylbutanoate?
The IUPAC name of methyl 2-[3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-2-methylbutanoate (CID 47089695) is methyl 2-[3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-2-methylbutanoate.
What is the SMILES notation for methyl 2-[3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-2-methylbutanoate?
The canonical SMILES for methyl 2-[3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-2-methylbutanoate is CCC(C)(NC(=O)CCc1ncc(-c2ccc(F)cc2F)o1)C(=O)OC.
What is the InChIKey of methyl 2-[3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-2-methylbutanoate?
The InChIKey is QQQODWFUGFFDAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N2O4/c1-4-18(2,17(24)25-3)22-15(23)7-8-16-21-10-14(26-16)12-6-5-11(19)9-13(12)20/h5-6,9-10H,4,7-8H2,1-3H3,(H,22,23).
What are the key properties of methyl 2-[3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-2-methylbutanoate?
methyl 2-[3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-2-methylbutanoate has a molecular weight of 366.36 g/mol, XLogP of 3.01, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-2-methylbutanoate is sourced from PubChem (CID 47089695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).