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

C16H19BrN2O3 — CID 66577775

IUPACtert-butyl N-[5-(4-bromophenyl)-3-ethyl-1,2-oxazol-4-yl]carbamate
SMILESCCc1noc(-c2ccc(Br)cc2)c1NC(=O)OC(C)(C)C
InChIInChI=1S/C16H19BrN2O3/c1-5-12-13(18-15(20)21-16(2,3)4)14(22-19-12)10-6-8-11(17)9-7-10/h6-9H,5H2,1-4H3,(H,18,20)
InChIKeyXQFGROITTRNFAF-UHFFFAOYSA-N
MW367.24 g/mol
LogP5.01
Rot. Bonds3

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

tert-butyl N-[5-(4-bromophenyl)-3-ethyl-1,2-oxazol-4-yl]carbamate (PubChem CID 66577775) has the molecular formula C16H19BrN2O3 and a molecular weight of 367.24 g/mol. Its IUPAC name is tert-butyl N-[5-(4-bromophenyl)-3-ethyl-1,2-oxazol-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[5-(4-bromophenyl)-3-ethyl-1,2-oxazol-4-yl]carbamate
PubChem CID66577775
Molecular FormulaC16H19BrN2O3
Molecular Weight367.24 g/mol
Exact Mass366.06
IUPAC Nametert-butyl N-[5-(4-bromophenyl)-3-ethyl-1,2-oxazol-4-yl]carbamate
SMILESCCc1noc(-c2ccc(Br)cc2)c1NC(=O)OC(C)(C)C
InChIInChI=1S/C16H19BrN2O3/c1-5-12-13(18-15(20)21-16(2,3)4)14(22-19-12)10-6-8-11(17)9-7-10/h6-9H,5H2,1-4H3,(H,18,20)
InChIKeyXQFGROITTRNFAF-UHFFFAOYSA-N
XLogP5.01
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.24
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-ethyl-5-phenyl-1,2-oxazol-4-yl)carbamic acid
CID 68885744
tert-butyl N-[[2-(4-bromophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]carbamate
CID 169336984
2-[[4-[4-[1-(2-chlorophenyl)ethoxycarbonylamino]-3-ethyl-1,2-oxazol-5-yl]phenyl]methylsulfanyl]acetic acid
CID 22279566
tert-butyl N-(2,6-dibromo-4-methylphenyl)carbamate
CID 65143138
4-bromoaniline;tert-butyl N-(4-bromophenyl)carbamate
CID 158972622
tert-butyl N-[2-[[5-(4-chlorophenyl)-4-ethyl-1,2-oxazol-3-yl]oxy]ethyl]carbamate
CID 19596673
N-[4-(4-bromophenyl)sulfanylphenyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 18274326
tert-butyl N-[2-(4-bromoanilino)ethyl]carbamate
CID 69234723
tert-butyl N-(5-bromo-2-methoxyphenyl)carbamate;propane
CID 144536105
tert-butyl N-(2-ethyl-6-fluorophenyl)carbamate
CID 153485690
N-[5-(4-bromophenyl)-3-ethyl-1,2-oxazol-4-yl]-5-cyclohexa-1,3-dien-5-yn-1-yl-1,3,4-oxadiazol-2-amine
CID 123241839
tert-butyl N-[7-bromo-2-(methoxymethyl)naphthalen-1-yl]carbamate
CID 162527661

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-(4-bromophenyl)-3-ethyl-1,2-oxazol-4-yl]carbamate?
The IUPAC name of tert-butyl N-[5-(4-bromophenyl)-3-ethyl-1,2-oxazol-4-yl]carbamate (CID 66577775) is tert-butyl N-[5-(4-bromophenyl)-3-ethyl-1,2-oxazol-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[5-(4-bromophenyl)-3-ethyl-1,2-oxazol-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[5-(4-bromophenyl)-3-ethyl-1,2-oxazol-4-yl]carbamate is CCc1noc(-c2ccc(Br)cc2)c1NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[5-(4-bromophenyl)-3-ethyl-1,2-oxazol-4-yl]carbamate?
The InChIKey is XQFGROITTRNFAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O3/c1-5-12-13(18-15(20)21-16(2,3)4)14(22-19-12)10-6-8-11(17)9-7-10/h6-9H,5H2,1-4H3,(H,18,20).
What are the key properties of tert-butyl N-[5-(4-bromophenyl)-3-ethyl-1,2-oxazol-4-yl]carbamate?
tert-butyl N-[5-(4-bromophenyl)-3-ethyl-1,2-oxazol-4-yl]carbamate has a molecular weight of 367.24 g/mol, XLogP of 5.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[5-(4-bromophenyl)-3-ethyl-1,2-oxazol-4-yl]carbamate is sourced from PubChem (CID 66577775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).