tert-butyl N-[(1R)-1-(4-cyclopropyl-1,3-oxazol-2-yl)ethyl]carbamate

C13H20N2O3 — CID 163278636

IUPACtert-butyl N-[(1R)-1-(4-cyclopropyl-1,3-oxazol-2-yl)ethyl]carbamate
SMILESC[C@@H](NC(=O)OC(C)(C)C)c1nc(C2CC2)co1
InChIInChI=1S/C13H20N2O3/c1-8(14-12(16)18-13(2,3)4)11-15-10(7-17-11)9-5-6-9/h7-9H,5-6H2,1-4H3,(H,14,16)/t8-/m1/s1
InChIKeyQATISTXRWGIPLY-MRVPVSSYSA-N
MW252.31 g/mol
LogP3.14
Rot. Bonds3

About tert-butyl N-[(1R)-1-(4-cyclopropyl-1,3-oxazol-2-yl)ethyl]carbamate

tert-butyl N-[(1R)-1-(4-cyclopropyl-1,3-oxazol-2-yl)ethyl]carbamate (PubChem CID 163278636) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is tert-butyl N-[(1R)-1-(4-cyclopropyl-1,3-oxazol-2-yl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R)-1-(4-cyclopropyl-1,3-oxazol-2-yl)ethyl]carbamate
PubChem CID163278636
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Nametert-butyl N-[(1R)-1-(4-cyclopropyl-1,3-oxazol-2-yl)ethyl]carbamate
SMILESC[C@@H](NC(=O)OC(C)(C)C)c1nc(C2CC2)co1
InChIInChI=1S/C13H20N2O3/c1-8(14-12(16)18-13(2,3)4)11-15-10(7-17-11)9-5-6-9/h7-9H,5-6H2,1-4H3,(H,14,16)/t8-/m1/s1
InChIKeyQATISTXRWGIPLY-MRVPVSSYSA-N
XLogP3.14
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R)-1-(4-cyclopropyl-1,3-oxazol-2-yl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[(1R)-1-(4-cyclopropyl-1,3-oxazol-2-yl)ethyl]carbamate (CID 163278636) is tert-butyl N-[(1R)-1-(4-cyclopropyl-1,3-oxazol-2-yl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1R)-1-(4-cyclopropyl-1,3-oxazol-2-yl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[(1R)-1-(4-cyclopropyl-1,3-oxazol-2-yl)ethyl]carbamate is C[C@@H](NC(=O)OC(C)(C)C)c1nc(C2CC2)co1.
What is the InChIKey of tert-butyl N-[(1R)-1-(4-cyclopropyl-1,3-oxazol-2-yl)ethyl]carbamate?
The InChIKey is QATISTXRWGIPLY-MRVPVSSYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-8(14-12(16)18-13(2,3)4)11-15-10(7-17-11)9-5-6-9/h7-9H,5-6H2,1-4H3,(H,14,16)/t8-/m1/s1.
What are the key properties of tert-butyl N-[(1R)-1-(4-cyclopropyl-1,3-oxazol-2-yl)ethyl]carbamate?
tert-butyl N-[(1R)-1-(4-cyclopropyl-1,3-oxazol-2-yl)ethyl]carbamate has a molecular weight of 252.31 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1R)-1-(4-cyclopropyl-1,3-oxazol-2-yl)ethyl]carbamate is sourced from PubChem (CID 163278636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).