3-(4-fluorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide

C14H12FN3O3 — CID 5307528

IUPAC3-(4-fluorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCc1cc(NC(=O)C2CC(c3ccc(F)cc3)=NO2)no1
InChIInChI=1S/C14H12FN3O3/c1-8-6-13(18-20-8)16-14(19)12-7-11(17-21-12)9-2-4-10(15)5-3-9/h2-6,12H,7H2,1H3,(H,16,18,19)
InChIKeyZXNONIZUNZMICX-UHFFFAOYSA-N
MW289.27 g/mol
LogP2.25
Rot. Bonds3

About 3-(4-fluorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide

3-(4-fluorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 5307528) has the molecular formula C14H12FN3O3 and a molecular weight of 289.27 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID5307528
Molecular FormulaC14H12FN3O3
Molecular Weight289.27 g/mol
Exact Mass289.09
IUPAC Name3-(4-fluorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCc1cc(NC(=O)C2CC(c3ccc(F)cc3)=NO2)no1
InChIInChI=1S/C14H12FN3O3/c1-8-6-13(18-20-8)16-14(19)12-7-11(17-21-12)9-2-4-10(15)5-3-9/h2-6,12H,7H2,1H3,(H,16,18,19)
InChIKeyZXNONIZUNZMICX-UHFFFAOYSA-N
XLogP2.25
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.27
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-(4-fluorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 5307528) is 3-(4-fluorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide is Cc1cc(NC(=O)C2CC(c3ccc(F)cc3)=NO2)no1.
What is the InChIKey of 3-(4-fluorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is ZXNONIZUNZMICX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3O3/c1-8-6-13(18-20-8)16-14(19)12-7-11(17-21-12)9-2-4-10(15)5-3-9/h2-6,12H,7H2,1H3,(H,16,18,19).
What are the key properties of 3-(4-fluorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
3-(4-fluorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 289.27 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 5307528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).