(3-tert-butyl-4-phenyl-1,2-oxazol-5-yl) carbamate

C14H16N2O3 — CID 178065991

IUPAC(3-tert-butyl-4-phenyl-1,2-oxazol-5-yl) carbamate
SMILESCC(C)(C)c1noc(OC(N)=O)c1-c1ccccc1
InChIInChI=1S/C14H16N2O3/c1-14(2,3)11-10(9-7-5-4-6-8-9)12(19-16-11)18-13(15)17/h4-8H,1-3H3,(H2,15,17)
InChIKeyZVGDSKKCRSEYSQ-UHFFFAOYSA-N
MW260.29 g/mol
LogP3.10
Rot. Bonds2

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

(3-tert-butyl-4-phenyl-1,2-oxazol-5-yl) carbamate (PubChem CID 178065991) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is (3-tert-butyl-4-phenyl-1,2-oxazol-5-yl) carbamate.

Molecular Properties

Compound Name(3-tert-butyl-4-phenyl-1,2-oxazol-5-yl) carbamate
PubChem CID178065991
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name(3-tert-butyl-4-phenyl-1,2-oxazol-5-yl) carbamate
SMILESCC(C)(C)c1noc(OC(N)=O)c1-c1ccccc1
InChIInChI=1S/C14H16N2O3/c1-14(2,3)11-10(9-7-5-4-6-8-9)12(19-16-11)18-13(15)17/h4-8H,1-3H3,(H2,15,17)
InChIKeyZVGDSKKCRSEYSQ-UHFFFAOYSA-N
XLogP3.10
TPSA78.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-tert-butyl-4-phenyl-1,2-oxazol-5-yl) carbamate?
The IUPAC name of (3-tert-butyl-4-phenyl-1,2-oxazol-5-yl) carbamate (CID 178065991) is (3-tert-butyl-4-phenyl-1,2-oxazol-5-yl) carbamate.
What is the SMILES notation for (3-tert-butyl-4-phenyl-1,2-oxazol-5-yl) carbamate?
The canonical SMILES for (3-tert-butyl-4-phenyl-1,2-oxazol-5-yl) carbamate is CC(C)(C)c1noc(OC(N)=O)c1-c1ccccc1.
What is the InChIKey of (3-tert-butyl-4-phenyl-1,2-oxazol-5-yl) carbamate?
The InChIKey is ZVGDSKKCRSEYSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-14(2,3)11-10(9-7-5-4-6-8-9)12(19-16-11)18-13(15)17/h4-8H,1-3H3,(H2,15,17).
What are the key properties of (3-tert-butyl-4-phenyl-1,2-oxazol-5-yl) carbamate?
(3-tert-butyl-4-phenyl-1,2-oxazol-5-yl) carbamate has a molecular weight of 260.29 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-tert-butyl-4-phenyl-1,2-oxazol-5-yl) carbamate is sourced from PubChem (CID 178065991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).