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

C19H25ClN2O4 — CID 19596743

IUPACtert-butyl N-[2-[[5-(4-chlorophenyl)-4-propan-2-yl-1,2-oxazol-3-yl]oxy]ethyl]carbamate
SMILESCC(C)c1c(OCCNC(=O)OC(C)(C)C)noc1-c1ccc(Cl)cc1
InChIInChI=1S/C19H25ClN2O4/c1-12(2)15-16(13-6-8-14(20)9-7-13)26-22-17(15)24-11-10-21-18(23)25-19(3,4)5/h6-9,12H,10-11H2,1-5H3,(H,21,23)
InChIKeyCHQGCFNDQYMUCJ-UHFFFAOYSA-N
MW380.87 g/mol
LogP5.02
Rot. Bonds6

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

tert-butyl N-[2-[[5-(4-chlorophenyl)-4-propan-2-yl-1,2-oxazol-3-yl]oxy]ethyl]carbamate (PubChem CID 19596743) has the molecular formula C19H25ClN2O4 and a molecular weight of 380.87 g/mol. Its IUPAC name is tert-butyl N-[2-[[5-(4-chlorophenyl)-4-propan-2-yl-1,2-oxazol-3-yl]oxy]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[[5-(4-chlorophenyl)-4-propan-2-yl-1,2-oxazol-3-yl]oxy]ethyl]carbamate
PubChem CID19596743
Molecular FormulaC19H25ClN2O4
Molecular Weight380.87 g/mol
Exact Mass380.15
IUPAC Nametert-butyl N-[2-[[5-(4-chlorophenyl)-4-propan-2-yl-1,2-oxazol-3-yl]oxy]ethyl]carbamate
SMILESCC(C)c1c(OCCNC(=O)OC(C)(C)C)noc1-c1ccc(Cl)cc1
InChIInChI=1S/C19H25ClN2O4/c1-12(2)15-16(13-6-8-14(20)9-7-13)26-22-17(15)24-11-10-21-18(23)25-19(3,4)5/h6-9,12H,10-11H2,1-5H3,(H,21,23)
InChIKeyCHQGCFNDQYMUCJ-UHFFFAOYSA-N
XLogP5.02
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.87
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze tert-butyl N-[2-[[5-(4-chlorophenyl)-4-propan-2-yl-1,2-oxazol-3-yl]oxy]ethyl]carbamate with MolForge

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Related Compounds

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-3-methylbutyl)-5-phenyl-1,2-oxazol-3-yl]oxy]ethyl]carbamate
CID 19596637
tert-butyl N-[2-[[4-(2-methylpropyl)-5-phenyl-1,2-oxazol-3-yl]oxy]ethyl]carbamate
CID 19596701
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-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-[[4-(methylcarbamoyl)-5-phenyl-1,2-oxazol-3-yl]oxy]ethyl]carbamate
CID 19596513
tert-butyl N-[2-[(5-fluoro-1,2-benzoxazol-3-yl)oxy]ethyl]carbamate
CID 15453940
tert-butyl N-[[4-(4-chlorophenyl)phenyl]methyl]carbamate
CID 52904827
tert-butyl N-(2-hydroxyethyl)carbamate;1-chloro-4-methylbenzene
CID 145267915
tert-butyl N-[2-(5-chloro-2-iodophenoxy)ethyl]carbamate
CID 175686847
tert-butyl N-[(3S)-3-(4-chlorophenyl)-3-methoxypropyl]carbamate
CID 153329637
tert-butyl N-[2-(4-pyridin-4-ylphenoxy)ethyl]carbamate
CID 176896349

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[[5-(4-chlorophenyl)-4-propan-2-yl-1,2-oxazol-3-yl]oxy]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[[5-(4-chlorophenyl)-4-propan-2-yl-1,2-oxazol-3-yl]oxy]ethyl]carbamate (CID 19596743) is tert-butyl N-[2-[[5-(4-chlorophenyl)-4-propan-2-yl-1,2-oxazol-3-yl]oxy]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[[5-(4-chlorophenyl)-4-propan-2-yl-1,2-oxazol-3-yl]oxy]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[[5-(4-chlorophenyl)-4-propan-2-yl-1,2-oxazol-3-yl]oxy]ethyl]carbamate is CC(C)c1c(OCCNC(=O)OC(C)(C)C)noc1-c1ccc(Cl)cc1.
What is the InChIKey of tert-butyl N-[2-[[5-(4-chlorophenyl)-4-propan-2-yl-1,2-oxazol-3-yl]oxy]ethyl]carbamate?
The InChIKey is CHQGCFNDQYMUCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN2O4/c1-12(2)15-16(13-6-8-14(20)9-7-13)26-22-17(15)24-11-10-21-18(23)25-19(3,4)5/h6-9,12H,10-11H2,1-5H3,(H,21,23).
What are the key properties of tert-butyl N-[2-[[5-(4-chlorophenyl)-4-propan-2-yl-1,2-oxazol-3-yl]oxy]ethyl]carbamate?
tert-butyl N-[2-[[5-(4-chlorophenyl)-4-propan-2-yl-1,2-oxazol-3-yl]oxy]ethyl]carbamate has a molecular weight of 380.87 g/mol, XLogP of 5.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[[5-(4-chlorophenyl)-4-propan-2-yl-1,2-oxazol-3-yl]oxy]ethyl]carbamate is sourced from PubChem (CID 19596743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).