tert-butyl N-[2-[[5-(4-fluorophenyl)-1,3-oxazole-4-carbonyl]amino]ethyl]carbamate

C17H20FN3O4 — CID 54185529

IUPACtert-butyl N-[2-[[5-(4-fluorophenyl)-1,3-oxazole-4-carbonyl]amino]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCNC(=O)c1ncoc1-c1ccc(F)cc1
InChIInChI=1S/C17H20FN3O4/c1-17(2,3)25-16(23)20-9-8-19-15(22)13-14(24-10-21-13)11-4-6-12(18)7-5-11/h4-7,10H,8-9H2,1-3H3,(H,19,22)(H,20,23)
InChIKeyPEVBFEVVEDYYBK-UHFFFAOYSA-N
MW349.36 g/mol
LogP2.74
Rot. Bonds5

About tert-butyl N-[2-[[5-(4-fluorophenyl)-1,3-oxazole-4-carbonyl]amino]ethyl]carbamate

tert-butyl N-[2-[[5-(4-fluorophenyl)-1,3-oxazole-4-carbonyl]amino]ethyl]carbamate (PubChem CID 54185529) has the molecular formula C17H20FN3O4 and a molecular weight of 349.36 g/mol. Its IUPAC name is tert-butyl N-[2-[[5-(4-fluorophenyl)-1,3-oxazole-4-carbonyl]amino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[[5-(4-fluorophenyl)-1,3-oxazole-4-carbonyl]amino]ethyl]carbamate
PubChem CID54185529
Molecular FormulaC17H20FN3O4
Molecular Weight349.36 g/mol
Exact Mass349.14
IUPAC Nametert-butyl N-[2-[[5-(4-fluorophenyl)-1,3-oxazole-4-carbonyl]amino]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCNC(=O)c1ncoc1-c1ccc(F)cc1
InChIInChI=1S/C17H20FN3O4/c1-17(2,3)25-16(23)20-9-8-19-15(22)13-14(24-10-21-13)11-4-6-12(18)7-5-11/h4-7,10H,8-9H2,1-3H3,(H,19,22)(H,20,23)
InChIKeyPEVBFEVVEDYYBK-UHFFFAOYSA-N
XLogP2.74
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.36
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]carbamate
CID 71089085
5-(4-fluorophenyl)-N-pyridin-4-yl-1,3-oxazole-4-carboxamide
CID 139006704
tert-butyl N-[2-[(5-fluoro-2-pyridinyl)amino]ethyl]carbamate
CID 114518182
5-(4-fluorophenyl)-N-[(2S)-4-phenylbutan-2-yl]-1,3-oxazole-4-carboxamide
CID 51492681
tert-butyl N-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]carbamate
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tert-butyl N-[3-[[2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-5-yl]oxy]propyl]carbamate
CID 59275350
tert-butyl N-[2-(2-fluorophenoxy)ethyl]carbamate
CID 54333211
tert-butyl N-[2-(4-fluoro-2-formylphenoxy)ethyl]carbamate
CID 118265568
tert-butyl N-[2-[[N-[(4-fluorophenyl)methyl]-N'-methylcarbamimidoyl]amino]ethyl]carbamate
CID 111233545
5-(4-fluorophenyl)-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]-1,3-oxazole-4-carboxamide
CID 51494366
tert-butyl N-[3-[[N-[3-(4-fluorophenoxy)propyl]-N'-methylcarbamimidoyl]amino]propyl]carbamate
CID 111887325
tert-butyl N-[2-[(6-chloro-3-pyridinyl)amino]ethyl]carbamate
CID 112639562

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[[5-(4-fluorophenyl)-1,3-oxazole-4-carbonyl]amino]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[[5-(4-fluorophenyl)-1,3-oxazole-4-carbonyl]amino]ethyl]carbamate (CID 54185529) is tert-butyl N-[2-[[5-(4-fluorophenyl)-1,3-oxazole-4-carbonyl]amino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[[5-(4-fluorophenyl)-1,3-oxazole-4-carbonyl]amino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[[5-(4-fluorophenyl)-1,3-oxazole-4-carbonyl]amino]ethyl]carbamate is CC(C)(C)OC(=O)NCCNC(=O)c1ncoc1-c1ccc(F)cc1.
What is the InChIKey of tert-butyl N-[2-[[5-(4-fluorophenyl)-1,3-oxazole-4-carbonyl]amino]ethyl]carbamate?
The InChIKey is PEVBFEVVEDYYBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O4/c1-17(2,3)25-16(23)20-9-8-19-15(22)13-14(24-10-21-13)11-4-6-12(18)7-5-11/h4-7,10H,8-9H2,1-3H3,(H,19,22)(H,20,23).
What are the key properties of tert-butyl N-[2-[[5-(4-fluorophenyl)-1,3-oxazole-4-carbonyl]amino]ethyl]carbamate?
tert-butyl N-[2-[[5-(4-fluorophenyl)-1,3-oxazole-4-carbonyl]amino]ethyl]carbamate has a molecular weight of 349.36 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[[5-(4-fluorophenyl)-1,3-oxazole-4-carbonyl]amino]ethyl]carbamate is sourced from PubChem (CID 54185529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).