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

C17H18F2N2O3 — CID 25475952

IUPAC3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide
SMILESO=C(CCc1ncc(-c2ccc(F)cc2F)o1)NC[C@@H]1CCCO1
InChIInChI=1S/C17H18F2N2O3/c18-11-3-4-13(14(19)8-11)15-10-21-17(24-15)6-5-16(22)20-9-12-2-1-7-23-12/h3-4,8,10,12H,1-2,5-7,9H2,(H,20,22)/t12-/m0/s1
InChIKeyWHPRJKZPPAMTGB-LBPRGKRZSA-N
MW336.34 g/mol
LogP2.85
Rot. Bonds6

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

3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide (PubChem CID 25475952) has the molecular formula C17H18F2N2O3 and a molecular weight of 336.34 g/mol. Its IUPAC name is 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide.

Molecular Properties

Compound Name3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide
PubChem CID25475952
Molecular FormulaC17H18F2N2O3
Molecular Weight336.34 g/mol
Exact Mass336.13
IUPAC Name3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide
SMILESO=C(CCc1ncc(-c2ccc(F)cc2F)o1)NC[C@@H]1CCCO1
InChIInChI=1S/C17H18F2N2O3/c18-11-3-4-13(14(19)8-11)15-10-21-17(24-15)6-5-16(22)20-9-12-2-1-7-23-12/h3-4,8,10,12H,1-2,5-7,9H2,(H,20,22)/t12-/m0/s1
InChIKeyWHPRJKZPPAMTGB-LBPRGKRZSA-N
XLogP2.85
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.34
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[(2S)-oxolan-2-yl]methyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 30822933
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-[2-(methylamino)ethyl]propanamide;dihydrochloride
CID 119501785
3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[2-oxo-2-(propylamino)ethyl]propanamide
CID 18162891
N-(4-aminocyclohexyl)-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanamide;dihydrochloride
CID 119476385
2-cyclopropyl-2-[3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoylamino]acetic acid
CID 119213751
N-(oxolan-2-ylmethyl)-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide
CID 108784774
3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-pyrrolidin-3-ylpropanamide
CID 119451500
N-[2-(1-adamantyl)ethyl]-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 18267949
1-[2-[3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoylamino]acetyl]-N-methylpyrrolidine-2-carboxamide
CID 56544319
3-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]-N-(oxolan-2-ylmethyl)propanamide
CID 133150016
3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[(3-methylthiophen-2-yl)methyl]propanamide
CID 32990182

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide?
The IUPAC name of 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide (CID 25475952) is 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide.
What is the SMILES notation for 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide?
The canonical SMILES for 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide is O=C(CCc1ncc(-c2ccc(F)cc2F)o1)NC[C@@H]1CCCO1.
What is the InChIKey of 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide?
The InChIKey is WHPRJKZPPAMTGB-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H18F2N2O3/c18-11-3-4-13(14(19)8-11)15-10-21-17(24-15)6-5-16(22)20-9-12-2-1-7-23-12/h3-4,8,10,12H,1-2,5-7,9H2,(H,20,22)/t12-/m0/s1.
What are the key properties of 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide?
3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide has a molecular weight of 336.34 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide is sourced from PubChem (CID 25475952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).