ethyl 2-[2-(3-fluoro-4-methylphenyl)-4-methyl-4,5-dihydro-1,3-oxazol-5-yl]acetate

C15H18FNO3 — CID 90909842

IUPACethyl 2-[2-(3-fluoro-4-methylphenyl)-4-methyl-4,5-dihydro-1,3-oxazol-5-yl]acetate
SMILESCCOC(=O)CC1OC(c2ccc(C)c(F)c2)=NC1C
InChIInChI=1S/C15H18FNO3/c1-4-19-14(18)8-13-10(3)17-15(20-13)11-6-5-9(2)12(16)7-11/h5-7,10,13H,4,8H2,1-3H3
InChIKeySAKWKHDVSIACPV-UHFFFAOYSA-N
MW279.31 g/mol
LogP2.62
Rot. Bonds4

About ethyl 2-[2-(3-fluoro-4-methylphenyl)-4-methyl-4,5-dihydro-1,3-oxazol-5-yl]acetate

ethyl 2-[2-(3-fluoro-4-methylphenyl)-4-methyl-4,5-dihydro-1,3-oxazol-5-yl]acetate (PubChem CID 90909842) has the molecular formula C15H18FNO3 and a molecular weight of 279.31 g/mol. Its IUPAC name is ethyl 2-[2-(3-fluoro-4-methylphenyl)-4-methyl-4,5-dihydro-1,3-oxazol-5-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(3-fluoro-4-methylphenyl)-4-methyl-4,5-dihydro-1,3-oxazol-5-yl]acetate
PubChem CID90909842
Molecular FormulaC15H18FNO3
Molecular Weight279.31 g/mol
Exact Mass279.13
IUPAC Nameethyl 2-[2-(3-fluoro-4-methylphenyl)-4-methyl-4,5-dihydro-1,3-oxazol-5-yl]acetate
SMILESCCOC(=O)CC1OC(c2ccc(C)c(F)c2)=NC1C
InChIInChI=1S/C15H18FNO3/c1-4-19-14(18)8-13-10(3)17-15(20-13)11-6-5-9(2)12(16)7-11/h5-7,10,13H,4,8H2,1-3H3
InChIKeySAKWKHDVSIACPV-UHFFFAOYSA-N
XLogP2.62
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 2-[2-(3-fluoro-4-methylphenyl)-4-methyl-4,5-dihydro-1,3-oxazol-5-yl]acetate with MolForge

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Related Compounds

Methyl (4S,5S)-dihydro-5-methyl-2-phenyl-4-oxazolecarboxylate
CID 719711
Methyl (S)-(+)-4,5-dihydro-2-phenyl-4-oxazolecarboxylate
CID 11074512
Methyl 2-phenyl-4,5-dihydro-1,3-oxazole-4-carboxylate
CID 3609401
benzyl (4S)-2-(3-fluorophenyl)-4,5-dihydrooxazole-4-carboxylate
CID 46201210
(4S,5S)-5-methyl-2-phenyl-4,5-dihydrooxazole-4-carboxylic acid
CID 46889284
benzyl (4S)-2-(p-tolyl)-4,5-dihydrooxazole-4-carboxylate
CID 46201336
2-Phenyl-2-oxazoline-4-carboxylic acid tert-butyl ester
CID 11736742
Isopropyl 2-phenyl-2-oxazoline-4-carboxylate
CID 589632
(4S, 5R) 5-methyl-2-phenyl-4,5-dihydrooxazole-4-carboxylic acid methyl ester
CID 719713
2-(4-fluorophenyl)-4-methyl-4H-1,3-oxazol-5-one
CID 46844549
methyl (4R,5S)-5-(4-fluorophenyl)-4,5-dihydro-1,3-oxazole-4-carboxylate
CID 52921124
2-(2,4-difluorophenyl)-4-(2-methylpropyl)-4H-1,3-oxazol-5-one
CID 53392109

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(3-fluoro-4-methylphenyl)-4-methyl-4,5-dihydro-1,3-oxazol-5-yl]acetate?
The IUPAC name of ethyl 2-[2-(3-fluoro-4-methylphenyl)-4-methyl-4,5-dihydro-1,3-oxazol-5-yl]acetate (CID 90909842) is ethyl 2-[2-(3-fluoro-4-methylphenyl)-4-methyl-4,5-dihydro-1,3-oxazol-5-yl]acetate.
What is the SMILES notation for ethyl 2-[2-(3-fluoro-4-methylphenyl)-4-methyl-4,5-dihydro-1,3-oxazol-5-yl]acetate?
The canonical SMILES for ethyl 2-[2-(3-fluoro-4-methylphenyl)-4-methyl-4,5-dihydro-1,3-oxazol-5-yl]acetate is CCOC(=O)CC1OC(c2ccc(C)c(F)c2)=NC1C.
What is the InChIKey of ethyl 2-[2-(3-fluoro-4-methylphenyl)-4-methyl-4,5-dihydro-1,3-oxazol-5-yl]acetate?
The InChIKey is SAKWKHDVSIACPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO3/c1-4-19-14(18)8-13-10(3)17-15(20-13)11-6-5-9(2)12(16)7-11/h5-7,10,13H,4,8H2,1-3H3.
What are the key properties of ethyl 2-[2-(3-fluoro-4-methylphenyl)-4-methyl-4,5-dihydro-1,3-oxazol-5-yl]acetate?
ethyl 2-[2-(3-fluoro-4-methylphenyl)-4-methyl-4,5-dihydro-1,3-oxazol-5-yl]acetate has a molecular weight of 279.31 g/mol, XLogP of 2.62, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(3-fluoro-4-methylphenyl)-4-methyl-4,5-dihydro-1,3-oxazol-5-yl]acetate is sourced from PubChem (CID 90909842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).