(2-fluorophenyl)methyl 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoate

C19H14F3NO3 — CID 55486440

IUPAC(2-fluorophenyl)methyl 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoate
SMILESO=C(CCc1ncc(-c2ccc(F)cc2F)o1)OCc1ccccc1F
InChIInChI=1S/C19H14F3NO3/c20-13-5-6-14(16(22)9-13)17-10-23-18(26-17)7-8-19(24)25-11-12-3-1-2-4-15(12)21/h1-6,9-10H,7-8,11H2
InChIKeyBSBQDTIOXDNMAU-UHFFFAOYSA-N
MW361.32 g/mol
LogP4.43
Rot. Bonds6

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

(2-fluorophenyl)methyl 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoate (PubChem CID 55486440) has the molecular formula C19H14F3NO3 and a molecular weight of 361.32 g/mol. Its IUPAC name is (2-fluorophenyl)methyl 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoate.

Molecular Properties

Compound Name(2-fluorophenyl)methyl 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoate
PubChem CID55486440
Molecular FormulaC19H14F3NO3
Molecular Weight361.32 g/mol
Exact Mass361.09
IUPAC Name(2-fluorophenyl)methyl 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoate
SMILESO=C(CCc1ncc(-c2ccc(F)cc2F)o1)OCc1ccccc1F
InChIInChI=1S/C19H14F3NO3/c20-13-5-6-14(16(22)9-13)17-10-23-18(26-17)7-8-19(24)25-11-12-3-1-2-4-15(12)21/h1-6,9-10H,7-8,11H2
InChIKeyBSBQDTIOXDNMAU-UHFFFAOYSA-N
XLogP4.43
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.32
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methylphenyl)methyl 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoate
CID 55508434
(8-methylimidazo[1,2-a]pyridin-2-yl)methyl 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoate
CID 55563499
3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[[2-(ethoxymethyl)phenyl]methyl]propanamide
CID 37397863
N-(2-aminoethyl)-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 119383503
2-(2-oxopyrrolidin-1-yl)ethyl 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoate
CID 55485620
[2-oxo-2-(1-phenylbutylamino)ethyl] 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoate
CID 55509094
(2-chloro-4-fluorophenyl)methyl 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoate
CID 42490902
(4-nitrophenyl)methyl 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoate
CID 43063041
(3,3-dimethyl-2-oxobutyl) 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoate
CID 55509093
3,3-dimethylbutyl 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoate
CID 78850724
[1-(4-acetylpiperazin-1-yl)-1-oxopropan-2-yl] 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoate
CID 55541606
N-[(2,3-dichlorophenyl)methyl]-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide
CID 29415847

Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)methyl 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoate?
The IUPAC name of (2-fluorophenyl)methyl 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoate (CID 55486440) is (2-fluorophenyl)methyl 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoate.
What is the SMILES notation for (2-fluorophenyl)methyl 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoate?
The canonical SMILES for (2-fluorophenyl)methyl 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoate is O=C(CCc1ncc(-c2ccc(F)cc2F)o1)OCc1ccccc1F.
What is the InChIKey of (2-fluorophenyl)methyl 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoate?
The InChIKey is BSBQDTIOXDNMAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3NO3/c20-13-5-6-14(16(22)9-13)17-10-23-18(26-17)7-8-19(24)25-11-12-3-1-2-4-15(12)21/h1-6,9-10H,7-8,11H2.
What are the key properties of (2-fluorophenyl)methyl 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoate?
(2-fluorophenyl)methyl 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoate has a molecular weight of 361.32 g/mol, XLogP of 4.43, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)methyl 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoate is sourced from PubChem (CID 55486440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).