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

C14H14N2O4 — CID 10125377

IUPAC3-[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]-1,3-oxazolidin-2-one
SMILESCc1ccc(C2=NOC(C(=O)N3CCOC3=O)C2)cc1
InChIInChI=1S/C14H14N2O4/c1-9-2-4-10(5-3-9)11-8-12(20-15-11)13(17)16-6-7-19-14(16)18/h2-5,12H,6-8H2,1H3
InChIKeyLZBKFUNRMAEXEG-UHFFFAOYSA-N
MW274.28 g/mol
LogP1.47
Rot. Bonds2

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

3-[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]-1,3-oxazolidin-2-one (PubChem CID 10125377) has the molecular formula C14H14N2O4 and a molecular weight of 274.28 g/mol. Its IUPAC name is 3-[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]-1,3-oxazolidin-2-one
PubChem CID10125377
Molecular FormulaC14H14N2O4
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC Name3-[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]-1,3-oxazolidin-2-one
SMILESCc1ccc(C2=NOC(C(=O)N3CCOC3=O)C2)cc1
InChIInChI=1S/C14H14N2O4/c1-9-2-4-10(5-3-9)11-8-12(20-15-11)13(17)16-6-7-19-14(16)18/h2-5,12H,6-8H2,1H3
InChIKeyLZBKFUNRMAEXEG-UHFFFAOYSA-N
XLogP1.47
TPSA68.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 51.47
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
4,5-Dihydro-N-(2-methoxyethyl)-3-[4-(trifluoromethyl)phenyl]-5-isoxazolecarboxamide
CID 23640773
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,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
N-(2-methoxyethyl)-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 24712273
N,3-dimethyl-N-[[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]butanamide
CID 24715237
1-(3-Phenyl-4,5-dihydro-1,2-oxazole-5-carbonyl)piperidine
CID 53016992
3-(4-Methylphenyl)-N-propyl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 83288373
[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

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]-1,3-oxazolidin-2-one (CID 10125377) is 3-[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]-1,3-oxazolidin-2-one is Cc1ccc(C2=NOC(C(=O)N3CCOC3=O)C2)cc1.
What is the InChIKey of 3-[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]-1,3-oxazolidin-2-one?
The InChIKey is LZBKFUNRMAEXEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4/c1-9-2-4-10(5-3-9)11-8-12(20-15-11)13(17)16-6-7-19-14(16)18/h2-5,12H,6-8H2,1H3.
What are the key properties of 3-[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]-1,3-oxazolidin-2-one?
3-[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]-1,3-oxazolidin-2-one has a molecular weight of 274.28 g/mol, XLogP of 1.47, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 10125377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).