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

C19H23FN2O4 — CID 139947563

IUPAC3-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]-4,4-di(propan-2-yl)-1,3-oxazolidin-2-one
SMILESCC(C)C1(C(C)C)COC(=O)N1C(=O)C1CC(c2ccc(F)cc2)=NO1
InChIInChI=1S/C19H23FN2O4/c1-11(2)19(12(3)4)10-25-18(24)22(19)17(23)16-9-15(21-26-16)13-5-7-14(20)8-6-13/h5-8,11-12,16H,9-10H2,1-4H3
InChIKeyJIKGKSPAWJHQEE-UHFFFAOYSA-N
MW362.40 g/mol
LogP3.35
Rot. Bonds4

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

3-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]-4,4-di(propan-2-yl)-1,3-oxazolidin-2-one (PubChem CID 139947563) has the molecular formula C19H23FN2O4 and a molecular weight of 362.40 g/mol. Its IUPAC name is 3-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]-4,4-di(propan-2-yl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]-4,4-di(propan-2-yl)-1,3-oxazolidin-2-one
PubChem CID139947563
Molecular FormulaC19H23FN2O4
Molecular Weight362.40 g/mol
Exact Mass362.16
IUPAC Name3-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]-4,4-di(propan-2-yl)-1,3-oxazolidin-2-one
SMILESCC(C)C1(C(C)C)COC(=O)N1C(=O)C1CC(c2ccc(F)cc2)=NO1
InChIInChI=1S/C19H23FN2O4/c1-11(2)19(12(3)4)10-25-18(24)22(19)17(23)16-9-15(21-26-16)13-5-7-14(20)8-6-13/h5-8,11-12,16H,9-10H2,1-4H3
InChIKeyJIKGKSPAWJHQEE-UHFFFAOYSA-N
XLogP3.35
TPSA68.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.40
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 4-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]piperazine-1-carboxylate
CID 5308699
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
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
Ethyl 1-{[3-(4-fluorophenyl)-4,5-dihydro-5-isoxazolyl]carbonyl}-4-piperidinecarboxylate
CID 19491738
3-[3-(4-Fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]-4,4-dimethyl-1,3-oxazolidin-2-one
CID 10149601
3-[3-(4-Fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]-1,3-oxazolidin-2-one
CID 10171601

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]-4,4-di(propan-2-yl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]-4,4-di(propan-2-yl)-1,3-oxazolidin-2-one (CID 139947563) is 3-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]-4,4-di(propan-2-yl)-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-di(propan-2-yl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]-4,4-di(propan-2-yl)-1,3-oxazolidin-2-one is CC(C)C1(C(C)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-di(propan-2-yl)-1,3-oxazolidin-2-one?
The InChIKey is JIKGKSPAWJHQEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O4/c1-11(2)19(12(3)4)10-25-18(24)22(19)17(23)16-9-15(21-26-16)13-5-7-14(20)8-6-13/h5-8,11-12,16H,9-10H2,1-4H3.
What are the key properties of 3-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]-4,4-di(propan-2-yl)-1,3-oxazolidin-2-one?
3-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]-4,4-di(propan-2-yl)-1,3-oxazolidin-2-one has a molecular weight of 362.40 g/mol, XLogP of 3.35, 4 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-di(propan-2-yl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 139947563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).