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

C17H19BrN2O3 — CID 66660618

IUPAC[(1R)-1-cyclobutylethyl] N-[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]carbamate
SMILESCc1noc(-c2ccc(Br)cc2)c1NC(=O)O[C@H](C)C1CCC1
InChIInChI=1S/C17H19BrN2O3/c1-10-15(19-17(21)22-11(2)12-4-3-5-12)16(23-20-10)13-6-8-14(18)9-7-13/h6-9,11-12H,3-5H2,1-2H3,(H,19,21)/t11-/m1/s1
InChIKeyNJZHKFIGQPAACH-LLVKDONJSA-N
MW379.25 g/mol
LogP5.15
Rot. Bonds4

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

[(1R)-1-cyclobutylethyl] N-[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]carbamate (PubChem CID 66660618) has the molecular formula C17H19BrN2O3 and a molecular weight of 379.25 g/mol. Its IUPAC name is [(1R)-1-cyclobutylethyl] N-[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]carbamate.

Molecular Properties

Compound Name[(1R)-1-cyclobutylethyl] N-[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]carbamate
PubChem CID66660618
Molecular FormulaC17H19BrN2O3
Molecular Weight379.25 g/mol
Exact Mass378.06
IUPAC Name[(1R)-1-cyclobutylethyl] N-[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]carbamate
SMILESCc1noc(-c2ccc(Br)cc2)c1NC(=O)O[C@H](C)C1CCC1
InChIInChI=1S/C17H19BrN2O3/c1-10-15(19-17(21)22-11(2)12-4-3-5-12)16(23-20-10)13-6-8-14(18)9-7-13/h6-9,11-12H,3-5H2,1-2H3,(H,19,21)/t11-/m1/s1
InChIKeyNJZHKFIGQPAACH-LLVKDONJSA-N
XLogP5.15
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.25
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(1R)-1-cyclobutylethyl] N-[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]carbamate?
The IUPAC name of [(1R)-1-cyclobutylethyl] N-[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]carbamate (CID 66660618) is [(1R)-1-cyclobutylethyl] N-[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]carbamate.
What is the SMILES notation for [(1R)-1-cyclobutylethyl] N-[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]carbamate?
The canonical SMILES for [(1R)-1-cyclobutylethyl] N-[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]carbamate is Cc1noc(-c2ccc(Br)cc2)c1NC(=O)O[C@H](C)C1CCC1.
What is the InChIKey of [(1R)-1-cyclobutylethyl] N-[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]carbamate?
The InChIKey is NJZHKFIGQPAACH-LLVKDONJSA-N. The full InChI is InChI=1S/C17H19BrN2O3/c1-10-15(19-17(21)22-11(2)12-4-3-5-12)16(23-20-10)13-6-8-14(18)9-7-13/h6-9,11-12H,3-5H2,1-2H3,(H,19,21)/t11-/m1/s1.
What are the key properties of [(1R)-1-cyclobutylethyl] N-[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]carbamate?
[(1R)-1-cyclobutylethyl] N-[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]carbamate has a molecular weight of 379.25 g/mol, XLogP of 5.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-cyclobutylethyl] N-[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]carbamate is sourced from PubChem (CID 66660618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).