3-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]-4,4-dimethyl-1,3-oxazolidin-2-one

C15H15FN2O4 — CID 10149601

IUPAC3-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]-4,4-dimethyl-1,3-oxazolidin-2-one
SMILESCC1(C)COC(=O)N1C(=O)C1CC(c2ccc(F)cc2)=NO1
InChIInChI=1S/C15H15FN2O4/c1-15(2)8-21-14(20)18(15)13(19)12-7-11(17-22-12)9-3-5-10(16)6-4-9/h3-6,12H,7-8H2,1-2H3
InChIKeyAEHWFIKORLKHMT-UHFFFAOYSA-N
MW306.29 g/mol
LogP2.08
Rot. Bonds2

About 3-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]-4,4-dimethyl-1,3-oxazolidin-2-one

3-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]-4,4-dimethyl-1,3-oxazolidin-2-one (PubChem CID 10149601) has the molecular formula C15H15FN2O4 and a molecular weight of 306.29 g/mol. Its IUPAC name is 3-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]-4,4-dimethyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]-4,4-dimethyl-1,3-oxazolidin-2-one
PubChem CID10149601
Molecular FormulaC15H15FN2O4
Molecular Weight306.29 g/mol
Exact Mass306.10
IUPAC Name3-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]-4,4-dimethyl-1,3-oxazolidin-2-one
SMILESCC1(C)COC(=O)N1C(=O)C1CC(c2ccc(F)cc2)=NO1
InChIInChI=1S/C15H15FN2O4/c1-15(2)8-21-14(20)18(15)13(19)12-7-11(17-22-12)9-3-5-10(16)6-4-9/h3-6,12H,7-8H2,1-2H3
InChIKeyAEHWFIKORLKHMT-UHFFFAOYSA-N
XLogP2.08
TPSA68.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.29
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]-4,4-dimethyl-1,3-oxazolidin-2-one with MolForge

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Related Compounds

Ethyl 4-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]piperazine-1-carboxylate
CID 5308699
[3-(4-Fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl](morpholin-4-yl)methanone
CID 17095765
N-tert-butyl-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 17095769
N,N-diethyl-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 17095773
[3-(2-Fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl](morpholin-4-yl)methanone
CID 17095811
Ethyl 4-{[3-(2-fluorophenyl)-4,5-dihydro-5-isoxazolyl]carbonyl}-1-piperazinecarboxylate
CID 17095819
N-tert-butyl-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 17095814
N,N-diethyl-3-(2-fluorophenyl)-4,5-dihydro-5-isoxazolecarboxamide
CID 17095818
3-(2-Fluorophenyl)-5-(pyrrolidine-1-carbonyl)-4,5-dihydro-1,2-oxazole
CID 53003043
[3-(4-Fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-pyrrolidin-1-ylmethanone
CID 6619749
Methyl 1-[3-(4-fluorophenyl)-4-methyl-4,5-dihydro-1,2-oxazole-5-carbonyl]-2,5-dihydropyrrole-2-carboxylate
CID 16677762
methyl N-{[3-(3-fluorobenzyl)-4,5-dihydro-5-isoxazolyl]carbonyl}-N-methylglycinate
CID 45169386

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]-4,4-dimethyl-1,3-oxazolidin-2-one?
The IUPAC name of 3-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]-4,4-dimethyl-1,3-oxazolidin-2-one (CID 10149601) is 3-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]-4,4-dimethyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]-4,4-dimethyl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]-4,4-dimethyl-1,3-oxazolidin-2-one is CC1(C)COC(=O)N1C(=O)C1CC(c2ccc(F)cc2)=NO1.
What is the InChIKey of 3-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]-4,4-dimethyl-1,3-oxazolidin-2-one?
The InChIKey is AEHWFIKORLKHMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O4/c1-15(2)8-21-14(20)18(15)13(19)12-7-11(17-22-12)9-3-5-10(16)6-4-9/h3-6,12H,7-8H2,1-2H3.
What are the key properties of 3-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]-4,4-dimethyl-1,3-oxazolidin-2-one?
3-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]-4,4-dimethyl-1,3-oxazolidin-2-one has a molecular weight of 306.29 g/mol, XLogP of 2.08, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]-4,4-dimethyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 10149601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).