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

C21H22N2O3 — CID 58833419

IUPACtert-butyl N-[3-(5-methyl-3-phenyl-1,2-oxazol-4-yl)phenyl]carbamate
SMILESCc1onc(-c2ccccc2)c1-c1cccc(NC(=O)OC(C)(C)C)c1
InChIInChI=1S/C21H22N2O3/c1-14-18(19(23-26-14)15-9-6-5-7-10-15)16-11-8-12-17(13-16)22-20(24)25-21(2,3)4/h5-13H,1-4H3,(H,22,24)
InChIKeyKKVXMBZPPPHUEO-UHFFFAOYSA-N
MW350.42 g/mol
LogP5.66
Rot. Bonds3

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

tert-butyl N-[3-(5-methyl-3-phenyl-1,2-oxazol-4-yl)phenyl]carbamate (PubChem CID 58833419) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is tert-butyl N-[3-(5-methyl-3-phenyl-1,2-oxazol-4-yl)phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(5-methyl-3-phenyl-1,2-oxazol-4-yl)phenyl]carbamate
PubChem CID58833419
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC Nametert-butyl N-[3-(5-methyl-3-phenyl-1,2-oxazol-4-yl)phenyl]carbamate
SMILESCc1onc(-c2ccccc2)c1-c1cccc(NC(=O)OC(C)(C)C)c1
InChIInChI=1S/C21H22N2O3/c1-14-18(19(23-26-14)15-9-6-5-7-10-15)16-11-8-12-17(13-16)22-20(24)25-21(2,3)4/h5-13H,1-4H3,(H,22,24)
InChIKeyKKVXMBZPPPHUEO-UHFFFAOYSA-N
XLogP5.66
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.42
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(5-methyl-3-phenyl-1,2-oxazol-4-yl)phenyl]carbamate?
The IUPAC name of tert-butyl N-[3-(5-methyl-3-phenyl-1,2-oxazol-4-yl)phenyl]carbamate (CID 58833419) is tert-butyl N-[3-(5-methyl-3-phenyl-1,2-oxazol-4-yl)phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(5-methyl-3-phenyl-1,2-oxazol-4-yl)phenyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(5-methyl-3-phenyl-1,2-oxazol-4-yl)phenyl]carbamate is Cc1onc(-c2ccccc2)c1-c1cccc(NC(=O)OC(C)(C)C)c1.
What is the InChIKey of tert-butyl N-[3-(5-methyl-3-phenyl-1,2-oxazol-4-yl)phenyl]carbamate?
The InChIKey is KKVXMBZPPPHUEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-14-18(19(23-26-14)15-9-6-5-7-10-15)16-11-8-12-17(13-16)22-20(24)25-21(2,3)4/h5-13H,1-4H3,(H,22,24).
What are the key properties of tert-butyl N-[3-(5-methyl-3-phenyl-1,2-oxazol-4-yl)phenyl]carbamate?
tert-butyl N-[3-(5-methyl-3-phenyl-1,2-oxazol-4-yl)phenyl]carbamate has a molecular weight of 350.42 g/mol, XLogP of 5.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(5-methyl-3-phenyl-1,2-oxazol-4-yl)phenyl]carbamate is sourced from PubChem (CID 58833419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).