N-(2-ethylphenyl)-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide

C18H17FN2O2 — CID 17095776

IUPACN-(2-ethylphenyl)-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCCc1ccccc1NC(=O)C1CC(c2ccccc2F)=NO1
InChIInChI=1S/C18H17FN2O2/c1-2-12-7-3-6-10-15(12)20-18(22)17-11-16(21-23-17)13-8-4-5-9-14(13)19/h3-10,17H,2,11H2,1H3,(H,20,22)
InChIKeyIJTSAMADUBIHBQ-UHFFFAOYSA-N
MW312.34 g/mol
LogP3.52
Rot. Bonds4

About N-(2-ethylphenyl)-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide

N-(2-ethylphenyl)-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 17095776) has the molecular formula C18H17FN2O2 and a molecular weight of 312.34 g/mol. Its IUPAC name is N-(2-ethylphenyl)-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID17095776
Molecular FormulaC18H17FN2O2
Molecular Weight312.34 g/mol
Exact Mass312.13
IUPAC NameN-(2-ethylphenyl)-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCCc1ccccc1NC(=O)C1CC(c2ccccc2F)=NO1
InChIInChI=1S/C18H17FN2O2/c1-2-12-7-3-6-10-15(12)20-18(22)17-11-16(21-23-17)13-8-4-5-9-14(13)19/h3-10,17H,2,11H2,1H3,(H,20,22)
InChIKeyIJTSAMADUBIHBQ-UHFFFAOYSA-N
XLogP3.52
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.34
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(2-ethylphenyl)-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 17095776) is N-(2-ethylphenyl)-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(2-ethylphenyl)-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(2-ethylphenyl)-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is CCc1ccccc1NC(=O)C1CC(c2ccccc2F)=NO1.
What is the InChIKey of N-(2-ethylphenyl)-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is IJTSAMADUBIHBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O2/c1-2-12-7-3-6-10-15(12)20-18(22)17-11-16(21-23-17)13-8-4-5-9-14(13)19/h3-10,17H,2,11H2,1H3,(H,20,22).
What are the key properties of N-(2-ethylphenyl)-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
N-(2-ethylphenyl)-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 312.34 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 17095776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).