tert-butyl N-[[2-(4-bromophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]carbamate

C16H19BrN2O3 — CID 169336984

IUPACtert-butyl N-[[2-(4-bromophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]carbamate
SMILESCc1oc(-c2ccc(Br)cc2)nc1CNC(=O)OC(C)(C)C
InChIInChI=1S/C16H19BrN2O3/c1-10-13(9-18-15(20)22-16(2,3)4)19-14(21-10)11-5-7-12(17)8-6-11/h5-8H,9H2,1-4H3,(H,18,20)
InChIKeyTWGWEPTYIGXNRK-UHFFFAOYSA-N
MW367.24 g/mol
LogP4.44
Rot. Bonds3

About tert-butyl N-[[2-(4-bromophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]carbamate

tert-butyl N-[[2-(4-bromophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]carbamate (PubChem CID 169336984) has the molecular formula C16H19BrN2O3 and a molecular weight of 367.24 g/mol. Its IUPAC name is tert-butyl N-[[2-(4-bromophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[2-(4-bromophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]carbamate
PubChem CID169336984
Molecular FormulaC16H19BrN2O3
Molecular Weight367.24 g/mol
Exact Mass366.06
IUPAC Nametert-butyl N-[[2-(4-bromophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]carbamate
SMILESCc1oc(-c2ccc(Br)cc2)nc1CNC(=O)OC(C)(C)C
InChIInChI=1S/C16H19BrN2O3/c1-10-13(9-18-15(20)22-16(2,3)4)19-14(21-10)11-5-7-12(17)8-6-11/h5-8H,9H2,1-4H3,(H,18,20)
InChIKeyTWGWEPTYIGXNRK-UHFFFAOYSA-N
XLogP4.44
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.24
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[2-(4-bromophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[2-(4-bromophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]carbamate (CID 169336984) is tert-butyl N-[[2-(4-bromophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[2-(4-bromophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[2-(4-bromophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]carbamate is Cc1oc(-c2ccc(Br)cc2)nc1CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[[2-(4-bromophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]carbamate?
The InChIKey is TWGWEPTYIGXNRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O3/c1-10-13(9-18-15(20)22-16(2,3)4)19-14(21-10)11-5-7-12(17)8-6-11/h5-8H,9H2,1-4H3,(H,18,20).
What are the key properties of tert-butyl N-[[2-(4-bromophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]carbamate?
tert-butyl N-[[2-(4-bromophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]carbamate has a molecular weight of 367.24 g/mol, XLogP of 4.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[2-(4-bromophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]carbamate is sourced from PubChem (CID 169336984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).