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

C18H23N3O5 — CID 19596513

IUPACtert-butyl N-[2-[[4-(methylcarbamoyl)-5-phenyl-1,2-oxazol-3-yl]oxy]ethyl]carbamate
SMILESCNC(=O)c1c(OCCNC(=O)OC(C)(C)C)noc1-c1ccccc1
InChIInChI=1S/C18H23N3O5/c1-18(2,3)25-17(23)20-10-11-24-16-13(15(22)19-4)14(26-21-16)12-8-6-5-7-9-12/h5-9H,10-11H2,1-4H3,(H,19,22)(H,20,23)
InChIKeyBZBDETGDQUYWJN-UHFFFAOYSA-N
MW361.40 g/mol
LogP2.60
Rot. Bonds6

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

tert-butyl N-[2-[[4-(methylcarbamoyl)-5-phenyl-1,2-oxazol-3-yl]oxy]ethyl]carbamate (PubChem CID 19596513) has the molecular formula C18H23N3O5 and a molecular weight of 361.40 g/mol. Its IUPAC name is tert-butyl N-[2-[[4-(methylcarbamoyl)-5-phenyl-1,2-oxazol-3-yl]oxy]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[[4-(methylcarbamoyl)-5-phenyl-1,2-oxazol-3-yl]oxy]ethyl]carbamate
PubChem CID19596513
Molecular FormulaC18H23N3O5
Molecular Weight361.40 g/mol
Exact Mass361.16
IUPAC Nametert-butyl N-[2-[[4-(methylcarbamoyl)-5-phenyl-1,2-oxazol-3-yl]oxy]ethyl]carbamate
SMILESCNC(=O)c1c(OCCNC(=O)OC(C)(C)C)noc1-c1ccccc1
InChIInChI=1S/C18H23N3O5/c1-18(2,3)25-17(23)20-10-11-24-16-13(15(22)19-4)14(26-21-16)12-8-6-5-7-9-12/h5-9H,10-11H2,1-4H3,(H,19,22)(H,20,23)
InChIKeyBZBDETGDQUYWJN-UHFFFAOYSA-N
XLogP2.60
TPSA102.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-(2-methylpropyl)-5-phenyl-1,2-oxazol-3-yl]oxy]ethyl]carbamate
CID 19596701
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-[[5-(4-chlorophenyl)-4-ethyl-1,2-oxazol-3-yl]oxy]ethyl]carbamate
CID 19596673
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-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
ethyl 3-(methylcarbamoyl)-5-phenyl-1,2-oxazole-4-carboxylate
CID 57333911
tert-butyl N-[2-[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]ethyl]carbamate
CID 133482508
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-(methylcarbamoyl)-5-phenyl-1,2-oxazol-3-yl]oxy]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[[4-(methylcarbamoyl)-5-phenyl-1,2-oxazol-3-yl]oxy]ethyl]carbamate (CID 19596513) is tert-butyl N-[2-[[4-(methylcarbamoyl)-5-phenyl-1,2-oxazol-3-yl]oxy]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[[4-(methylcarbamoyl)-5-phenyl-1,2-oxazol-3-yl]oxy]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[[4-(methylcarbamoyl)-5-phenyl-1,2-oxazol-3-yl]oxy]ethyl]carbamate is CNC(=O)c1c(OCCNC(=O)OC(C)(C)C)noc1-c1ccccc1.
What is the InChIKey of tert-butyl N-[2-[[4-(methylcarbamoyl)-5-phenyl-1,2-oxazol-3-yl]oxy]ethyl]carbamate?
The InChIKey is BZBDETGDQUYWJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O5/c1-18(2,3)25-17(23)20-10-11-24-16-13(15(22)19-4)14(26-21-16)12-8-6-5-7-9-12/h5-9H,10-11H2,1-4H3,(H,19,22)(H,20,23).
What are the key properties of tert-butyl N-[2-[[4-(methylcarbamoyl)-5-phenyl-1,2-oxazol-3-yl]oxy]ethyl]carbamate?
tert-butyl N-[2-[[4-(methylcarbamoyl)-5-phenyl-1,2-oxazol-3-yl]oxy]ethyl]carbamate has a molecular weight of 361.40 g/mol, XLogP of 2.60, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[[4-(methylcarbamoyl)-5-phenyl-1,2-oxazol-3-yl]oxy]ethyl]carbamate is sourced from PubChem (CID 19596513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).