tert-butyl N-[2-[[4-(2-methylpropyl)-5-phenyl-1,2-oxazol-3-yl]oxy]ethyl]carbamate

C20H28N2O4 — CID 19596701

IUPACtert-butyl N-[2-[[4-(2-methylpropyl)-5-phenyl-1,2-oxazol-3-yl]oxy]ethyl]carbamate
SMILESCC(C)Cc1c(OCCNC(=O)OC(C)(C)C)noc1-c1ccccc1
InChIInChI=1S/C20H28N2O4/c1-14(2)13-16-17(15-9-7-6-8-10-15)26-22-18(16)24-12-11-21-19(23)25-20(3,4)5/h6-10,14H,11-13H2,1-5H3,(H,21,23)
InChIKeyUQKQGUXGLZAKQM-UHFFFAOYSA-N
MW360.45 g/mol
LogP4.44
Rot. Bonds7

About tert-butyl N-[2-[[4-(2-methylpropyl)-5-phenyl-1,2-oxazol-3-yl]oxy]ethyl]carbamate

tert-butyl N-[2-[[4-(2-methylpropyl)-5-phenyl-1,2-oxazol-3-yl]oxy]ethyl]carbamate (PubChem CID 19596701) has the molecular formula C20H28N2O4 and a molecular weight of 360.45 g/mol. Its IUPAC name is tert-butyl N-[2-[[4-(2-methylpropyl)-5-phenyl-1,2-oxazol-3-yl]oxy]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[[4-(2-methylpropyl)-5-phenyl-1,2-oxazol-3-yl]oxy]ethyl]carbamate
PubChem CID19596701
Molecular FormulaC20H28N2O4
Molecular Weight360.45 g/mol
Exact Mass360.20
IUPAC Nametert-butyl N-[2-[[4-(2-methylpropyl)-5-phenyl-1,2-oxazol-3-yl]oxy]ethyl]carbamate
SMILESCC(C)Cc1c(OCCNC(=O)OC(C)(C)C)noc1-c1ccccc1
InChIInChI=1S/C20H28N2O4/c1-14(2)13-16-17(15-9-7-6-8-10-15)26-22-18(16)24-12-11-21-19(23)25-20(3,4)5/h6-10,14H,11-13H2,1-5H3,(H,21,23)
InChIKeyUQKQGUXGLZAKQM-UHFFFAOYSA-N
XLogP4.44
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]-5-phenyl-1,2-oxazole-4-carboxylic acid
CID 19596598
tert-butyl N-[2-[[4-(1-hydroxy-3-methylbutyl)-5-phenyl-1,2-oxazol-3-yl]oxy]ethyl]carbamate
CID 19596637
tert-butyl N-[2-[[4-(methylcarbamoyl)-5-phenyl-1,2-oxazol-3-yl]oxy]ethyl]carbamate
CID 19596513
tert-butyl N-[2-[[4-(1-hydroxy-2-methylpropyl)-5-phenyl-1,2-oxazol-3-yl]oxy]ethyl]carbamate;tert-butyl N-[2-[(5-phenyl-1,2-oxazol-3-yl)oxy]ethyl]carbamate
CID 159607170
tert-butyl N-[2-[[5-(4-chlorophenyl)-4-ethyl-1,2-oxazol-3-yl]oxy]ethyl]carbamate
CID 19596673
tert-butyl N-[2-[(5-phenyl-1,2-oxazol-3-yl)oxy]ethyl]carbamate
CID 15434960
tert-butyl N-[2-[[5-(4-chlorophenyl)-4-propan-2-yl-1,2-oxazol-3-yl]oxy]ethyl]carbamate
CID 19596743
tert-butyl N-[2-[(5-fluoro-1,2-benzoxazol-3-yl)oxy]ethyl]carbamate
CID 15453940
tert-butyl N-[2-[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]ethyl]carbamate
CID 133482508
tert-butyl N-[2-[2-(3-amino-1,2-oxazol-5-yl)phenoxy]ethyl]carbamate
CID 176654089
tert-butyl N-[2-[[N'-methyl-N-(2-phenoxyethyl)carbamimidoyl]amino]ethyl]carbamate
CID 111006689
2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-5-phenyl-1,3-oxazole-4-carboxylic acid
CID 66929171

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[[4-(2-methylpropyl)-5-phenyl-1,2-oxazol-3-yl]oxy]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[[4-(2-methylpropyl)-5-phenyl-1,2-oxazol-3-yl]oxy]ethyl]carbamate (CID 19596701) is tert-butyl N-[2-[[4-(2-methylpropyl)-5-phenyl-1,2-oxazol-3-yl]oxy]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[[4-(2-methylpropyl)-5-phenyl-1,2-oxazol-3-yl]oxy]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[[4-(2-methylpropyl)-5-phenyl-1,2-oxazol-3-yl]oxy]ethyl]carbamate is CC(C)Cc1c(OCCNC(=O)OC(C)(C)C)noc1-c1ccccc1.
What is the InChIKey of tert-butyl N-[2-[[4-(2-methylpropyl)-5-phenyl-1,2-oxazol-3-yl]oxy]ethyl]carbamate?
The InChIKey is UQKQGUXGLZAKQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O4/c1-14(2)13-16-17(15-9-7-6-8-10-15)26-22-18(16)24-12-11-21-19(23)25-20(3,4)5/h6-10,14H,11-13H2,1-5H3,(H,21,23).
What are the key properties of tert-butyl N-[2-[[4-(2-methylpropyl)-5-phenyl-1,2-oxazol-3-yl]oxy]ethyl]carbamate?
tert-butyl N-[2-[[4-(2-methylpropyl)-5-phenyl-1,2-oxazol-3-yl]oxy]ethyl]carbamate has a molecular weight of 360.45 g/mol, XLogP of 4.44, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[[4-(2-methylpropyl)-5-phenyl-1,2-oxazol-3-yl]oxy]ethyl]carbamate is sourced from PubChem (CID 19596701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).