3-tert-butyl-1-ethyl-1-[[3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]urea

C17H24FN3O2 — CID 24712152

IUPAC3-tert-butyl-1-ethyl-1-[[3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]urea
SMILESCCN(CC1CC(c2cccc(F)c2)=NO1)C(=O)NC(C)(C)C
InChIInChI=1S/C17H24FN3O2/c1-5-21(16(22)19-17(2,3)4)11-14-10-15(20-23-14)12-7-6-8-13(18)9-12/h6-9,14H,5,10-11H2,1-4H3,(H,19,22)
InChIKeyFPQNUVIRBMDWKO-UHFFFAOYSA-N
MW321.40 g/mol
LogP3.15
Rot. Bonds4

About 3-tert-butyl-1-ethyl-1-[[3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]urea

3-tert-butyl-1-ethyl-1-[[3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]urea (PubChem CID 24712152) has the molecular formula C17H24FN3O2 and a molecular weight of 321.40 g/mol. Its IUPAC name is 3-tert-butyl-1-ethyl-1-[[3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]urea.

Molecular Properties

Compound Name3-tert-butyl-1-ethyl-1-[[3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]urea
PubChem CID24712152
Molecular FormulaC17H24FN3O2
Molecular Weight321.40 g/mol
Exact Mass321.19
IUPAC Name3-tert-butyl-1-ethyl-1-[[3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]urea
SMILESCCN(CC1CC(c2cccc(F)c2)=NO1)C(=O)NC(C)(C)C
InChIInChI=1S/C17H24FN3O2/c1-5-21(16(22)19-17(2,3)4)11-14-10-15(20-23-14)12-7-6-8-13(18)9-12/h6-9,14H,5,10-11H2,1-4H3,(H,19,22)
InChIKeyFPQNUVIRBMDWKO-UHFFFAOYSA-N
XLogP3.15
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-tert-butyl-1-ethyl-1-[[3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]urea with MolForge

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Related Compounds

N-butyl-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 16681945
N-butyl-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 17095813
N-[[4,5-Dihydro-3-[4-[1,2,3,6-tetrahydro-1-(acetyl)-4-pyridinyl]phenyl]-5-isoxazolyl]methyl]acetamide
CID 11110612
3-(4-fluorophenyl)-N-propyl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 6622840
N-[[(5R)-3-(3,4-difluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide
CID 11054195
3-(3-fluorophenyl)-N-(3-methylbutyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 16681857
3-(3-fluorophenyl)-N-propyl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 16681861
N-butyl-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 17095766
3-(4-fluorophenyl)-N-isobutyl-4,5-dihydro-5-isoxazolecarboxamide
CID 17095768
3-(2-fluorophenyl)-N-propyl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 17095812
N-(Butan-2-YL)-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 20869152
3-(2-fluorophenyl)-N-(2-methylpropyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 20869153

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-ethyl-1-[[3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]urea?
The IUPAC name of 3-tert-butyl-1-ethyl-1-[[3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]urea (CID 24712152) is 3-tert-butyl-1-ethyl-1-[[3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]urea.
What is the SMILES notation for 3-tert-butyl-1-ethyl-1-[[3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]urea?
The canonical SMILES for 3-tert-butyl-1-ethyl-1-[[3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]urea is CCN(CC1CC(c2cccc(F)c2)=NO1)C(=O)NC(C)(C)C.
What is the InChIKey of 3-tert-butyl-1-ethyl-1-[[3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]urea?
The InChIKey is FPQNUVIRBMDWKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3O2/c1-5-21(16(22)19-17(2,3)4)11-14-10-15(20-23-14)12-7-6-8-13(18)9-12/h6-9,14H,5,10-11H2,1-4H3,(H,19,22).
What are the key properties of 3-tert-butyl-1-ethyl-1-[[3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]urea?
3-tert-butyl-1-ethyl-1-[[3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]urea has a molecular weight of 321.40 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-ethyl-1-[[3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]urea is sourced from PubChem (CID 24712152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).