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

C16H20N2O3 — CID 66878167

IUPACtert-butyl N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]carbamate
SMILESCc1noc(C)c1-c1cccc(NC(=O)OC(C)(C)C)c1
InChIInChI=1S/C16H20N2O3/c1-10-14(11(2)21-18-10)12-7-6-8-13(9-12)17-15(19)20-16(3,4)5/h6-9H,1-5H3,(H,17,19)
InChIKeySBSUTLXERKUHRM-UHFFFAOYSA-N
MW288.35 g/mol
LogP4.31
Rot. Bonds2

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

tert-butyl N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]carbamate (PubChem CID 66878167) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is tert-butyl N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]carbamate
PubChem CID66878167
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Nametert-butyl N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]carbamate
SMILESCc1noc(C)c1-c1cccc(NC(=O)OC(C)(C)C)c1
InChIInChI=1S/C16H20N2O3/c1-10-14(11(2)21-18-10)12-7-6-8-13(9-12)17-15(19)20-16(3,4)5/h6-9H,1-5H3,(H,17,19)
InChIKeySBSUTLXERKUHRM-UHFFFAOYSA-N
XLogP4.31
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 54.31
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-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]carbamate?
The IUPAC name of tert-butyl N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]carbamate (CID 66878167) is tert-butyl N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]carbamate is Cc1noc(C)c1-c1cccc(NC(=O)OC(C)(C)C)c1.
What is the InChIKey of tert-butyl N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]carbamate?
The InChIKey is SBSUTLXERKUHRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-10-14(11(2)21-18-10)12-7-6-8-13(9-12)17-15(19)20-16(3,4)5/h6-9H,1-5H3,(H,17,19).
What are the key properties of tert-butyl N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]carbamate?
tert-butyl N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]carbamate has a molecular weight of 288.35 g/mol, XLogP of 4.31, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]carbamate is sourced from PubChem (CID 66878167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).