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

C10H14F2N2O3 — CID 129320253

IUPACtert-butyl N-[5-(difluoromethyl)-2-methyl-1,3-oxazol-4-yl]carbamate
SMILESCc1nc(NC(=O)OC(C)(C)C)c(C(F)F)o1
InChIInChI=1S/C10H14F2N2O3/c1-5-13-8(6(16-5)7(11)12)14-9(15)17-10(2,3)4/h7H,1-4H3,(H,14,15)
InChIKeyVNKYUIVJQDKZGS-UHFFFAOYSA-N
MW248.23 g/mol
LogP3.27
Rot. Bonds2

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

tert-butyl N-[5-(difluoromethyl)-2-methyl-1,3-oxazol-4-yl]carbamate (PubChem CID 129320253) has the molecular formula C10H14F2N2O3 and a molecular weight of 248.23 g/mol. Its IUPAC name is tert-butyl N-[5-(difluoromethyl)-2-methyl-1,3-oxazol-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[5-(difluoromethyl)-2-methyl-1,3-oxazol-4-yl]carbamate
PubChem CID129320253
Molecular FormulaC10H14F2N2O3
Molecular Weight248.23 g/mol
Exact Mass248.10
IUPAC Nametert-butyl N-[5-(difluoromethyl)-2-methyl-1,3-oxazol-4-yl]carbamate
SMILESCc1nc(NC(=O)OC(C)(C)C)c(C(F)F)o1
InChIInChI=1S/C10H14F2N2O3/c1-5-13-8(6(16-5)7(11)12)14-9(15)17-10(2,3)4/h7H,1-4H3,(H,14,15)
InChIKeyVNKYUIVJQDKZGS-UHFFFAOYSA-N
XLogP3.27
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.23
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-(difluoromethyl)-2-methyl-1,3-oxazol-4-yl]carbamate?
The IUPAC name of tert-butyl N-[5-(difluoromethyl)-2-methyl-1,3-oxazol-4-yl]carbamate (CID 129320253) is tert-butyl N-[5-(difluoromethyl)-2-methyl-1,3-oxazol-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[5-(difluoromethyl)-2-methyl-1,3-oxazol-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[5-(difluoromethyl)-2-methyl-1,3-oxazol-4-yl]carbamate is Cc1nc(NC(=O)OC(C)(C)C)c(C(F)F)o1.
What is the InChIKey of tert-butyl N-[5-(difluoromethyl)-2-methyl-1,3-oxazol-4-yl]carbamate?
The InChIKey is VNKYUIVJQDKZGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N2O3/c1-5-13-8(6(16-5)7(11)12)14-9(15)17-10(2,3)4/h7H,1-4H3,(H,14,15).
What are the key properties of tert-butyl N-[5-(difluoromethyl)-2-methyl-1,3-oxazol-4-yl]carbamate?
tert-butyl N-[5-(difluoromethyl)-2-methyl-1,3-oxazol-4-yl]carbamate has a molecular weight of 248.23 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[5-(difluoromethyl)-2-methyl-1,3-oxazol-4-yl]carbamate is sourced from PubChem (CID 129320253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).