3-(4-fluorophenyl)-4-methyl-N-[3-(oxolan-3-yl)propyl]-4,5-dihydro-1,2-oxazole-5-carboxamide

C18H23FN2O3 — CID 16677287

IUPAC3-(4-fluorophenyl)-4-methyl-N-[3-(oxolan-3-yl)propyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCC1C(c2ccc(F)cc2)=NOC1C(=O)NCCCC1CCOC1
InChIInChI=1S/C18H23FN2O3/c1-12-16(14-4-6-15(19)7-5-14)21-24-17(12)18(22)20-9-2-3-13-8-10-23-11-13/h4-7,12-13,17H,2-3,8-11H2,1H3,(H,20,22)
InChIKeyWZGBCBAHWCCFKK-UHFFFAOYSA-N
MW334.39 g/mol
LogP2.50
Rot. Bonds6

About 3-(4-fluorophenyl)-4-methyl-N-[3-(oxolan-3-yl)propyl]-4,5-dihydro-1,2-oxazole-5-carboxamide

3-(4-fluorophenyl)-4-methyl-N-[3-(oxolan-3-yl)propyl]-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 16677287) has the molecular formula C18H23FN2O3 and a molecular weight of 334.39 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-4-methyl-N-[3-(oxolan-3-yl)propyl]-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-4-methyl-N-[3-(oxolan-3-yl)propyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID16677287
Molecular FormulaC18H23FN2O3
Molecular Weight334.39 g/mol
Exact Mass334.17
IUPAC Name3-(4-fluorophenyl)-4-methyl-N-[3-(oxolan-3-yl)propyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCC1C(c2ccc(F)cc2)=NOC1C(=O)NCCCC1CCOC1
InChIInChI=1S/C18H23FN2O3/c1-12-16(14-4-6-15(19)7-5-14)21-24-17(12)18(22)20-9-2-3-13-8-10-23-11-13/h4-7,12-13,17H,2-3,8-11H2,1H3,(H,20,22)
InChIKeyWZGBCBAHWCCFKK-UHFFFAOYSA-N
XLogP2.50
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.39
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-4-methyl-N-[3-(oxolan-3-yl)propyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-(4-fluorophenyl)-4-methyl-N-[3-(oxolan-3-yl)propyl]-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 16677287) is 3-(4-fluorophenyl)-4-methyl-N-[3-(oxolan-3-yl)propyl]-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)-4-methyl-N-[3-(oxolan-3-yl)propyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-(4-fluorophenyl)-4-methyl-N-[3-(oxolan-3-yl)propyl]-4,5-dihydro-1,2-oxazole-5-carboxamide is CC1C(c2ccc(F)cc2)=NOC1C(=O)NCCCC1CCOC1.
What is the InChIKey of 3-(4-fluorophenyl)-4-methyl-N-[3-(oxolan-3-yl)propyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is WZGBCBAHWCCFKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2O3/c1-12-16(14-4-6-15(19)7-5-14)21-24-17(12)18(22)20-9-2-3-13-8-10-23-11-13/h4-7,12-13,17H,2-3,8-11H2,1H3,(H,20,22).
What are the key properties of 3-(4-fluorophenyl)-4-methyl-N-[3-(oxolan-3-yl)propyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
3-(4-fluorophenyl)-4-methyl-N-[3-(oxolan-3-yl)propyl]-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 334.39 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-4-methyl-N-[3-(oxolan-3-yl)propyl]-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 16677287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).