tert-butyl N-(4-propan-2-yl-2-thiophen-2-yl-1,3-oxazol-5-yl)carbamate

C15H20N2O3S — CID 42646660

IUPACtert-butyl N-(4-propan-2-yl-2-thiophen-2-yl-1,3-oxazol-5-yl)carbamate
SMILESCC(C)c1nc(-c2cccs2)oc1NC(=O)OC(C)(C)C
InChIInChI=1S/C15H20N2O3S/c1-9(2)11-13(17-14(18)20-15(3,4)5)19-12(16-11)10-7-6-8-21-10/h6-9H,1-5H3,(H,17,18)
InChIKeyYMSSQNBDUWDOKN-UHFFFAOYSA-N
MW308.40 g/mol
LogP4.87
Rot. Bonds3

About tert-butyl N-(4-propan-2-yl-2-thiophen-2-yl-1,3-oxazol-5-yl)carbamate

tert-butyl N-(4-propan-2-yl-2-thiophen-2-yl-1,3-oxazol-5-yl)carbamate (PubChem CID 42646660) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is tert-butyl N-(4-propan-2-yl-2-thiophen-2-yl-1,3-oxazol-5-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(4-propan-2-yl-2-thiophen-2-yl-1,3-oxazol-5-yl)carbamate
PubChem CID42646660
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC Nametert-butyl N-(4-propan-2-yl-2-thiophen-2-yl-1,3-oxazol-5-yl)carbamate
SMILESCC(C)c1nc(-c2cccs2)oc1NC(=O)OC(C)(C)C
InChIInChI=1S/C15H20N2O3S/c1-9(2)11-13(17-14(18)20-15(3,4)5)19-12(16-11)10-7-6-8-21-10/h6-9H,1-5H3,(H,17,18)
InChIKeyYMSSQNBDUWDOKN-UHFFFAOYSA-N
XLogP4.87
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4-propan-2-yl-2-thiophen-2-yl-1,3-oxazol-5-yl)carbamate?
The IUPAC name of tert-butyl N-(4-propan-2-yl-2-thiophen-2-yl-1,3-oxazol-5-yl)carbamate (CID 42646660) is tert-butyl N-(4-propan-2-yl-2-thiophen-2-yl-1,3-oxazol-5-yl)carbamate.
What is the SMILES notation for tert-butyl N-(4-propan-2-yl-2-thiophen-2-yl-1,3-oxazol-5-yl)carbamate?
The canonical SMILES for tert-butyl N-(4-propan-2-yl-2-thiophen-2-yl-1,3-oxazol-5-yl)carbamate is CC(C)c1nc(-c2cccs2)oc1NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(4-propan-2-yl-2-thiophen-2-yl-1,3-oxazol-5-yl)carbamate?
The InChIKey is YMSSQNBDUWDOKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3S/c1-9(2)11-13(17-14(18)20-15(3,4)5)19-12(16-11)10-7-6-8-21-10/h6-9H,1-5H3,(H,17,18).
What are the key properties of tert-butyl N-(4-propan-2-yl-2-thiophen-2-yl-1,3-oxazol-5-yl)carbamate?
tert-butyl N-(4-propan-2-yl-2-thiophen-2-yl-1,3-oxazol-5-yl)carbamate has a molecular weight of 308.40 g/mol, XLogP of 4.87, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(4-propan-2-yl-2-thiophen-2-yl-1,3-oxazol-5-yl)carbamate is sourced from PubChem (CID 42646660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).