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

C14H17FN2O2 — CID 17095814

IUPACN-tert-butyl-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCC(C)(C)NC(=O)C1CC(c2ccccc2F)=NO1
InChIInChI=1S/C14H17FN2O2/c1-14(2,3)16-13(18)12-8-11(17-19-12)9-6-4-5-7-10(9)15/h4-7,12H,8H2,1-3H3,(H,16,18)
InChIKeyFBTCAGJVOLCUTF-UHFFFAOYSA-N
MW264.30 g/mol
LogP2.23
Rot. Bonds2

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

N-tert-butyl-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 17095814) has the molecular formula C14H17FN2O2 and a molecular weight of 264.30 g/mol. Its IUPAC name is N-tert-butyl-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID17095814
Molecular FormulaC14H17FN2O2
Molecular Weight264.30 g/mol
Exact Mass264.13
IUPAC NameN-tert-butyl-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCC(C)(C)NC(=O)C1CC(c2ccccc2F)=NO1
InChIInChI=1S/C14H17FN2O2/c1-14(2,3)16-13(18)12-8-11(17-19-12)9-6-4-5-7-10(9)15/h4-7,12H,8H2,1-3H3,(H,16,18)
InChIKeyFBTCAGJVOLCUTF-UHFFFAOYSA-N
XLogP2.23
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of N-tert-butyl-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 17095814) is N-tert-butyl-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-tert-butyl-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-tert-butyl-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is CC(C)(C)NC(=O)C1CC(c2ccccc2F)=NO1.
What is the InChIKey of N-tert-butyl-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is FBTCAGJVOLCUTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O2/c1-14(2,3)16-13(18)12-8-11(17-19-12)9-6-4-5-7-10(9)15/h4-7,12H,8H2,1-3H3,(H,16,18).
What are the key properties of N-tert-butyl-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
N-tert-butyl-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 264.30 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 17095814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).