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

C12H18N2O3 — CID 167047305

IUPACtert-butyl N-[(4-cyclopropyl-1,3-oxazol-2-yl)methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1nc(C2CC2)co1
InChIInChI=1S/C12H18N2O3/c1-12(2,3)17-11(15)13-6-10-14-9(7-16-10)8-4-5-8/h7-8H,4-6H2,1-3H3,(H,13,15)
InChIKeyBLMUMBOZDPHXHF-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.58
Rot. Bonds3

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

tert-butyl N-[(4-cyclopropyl-1,3-oxazol-2-yl)methyl]carbamate (PubChem CID 167047305) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is tert-butyl N-[(4-cyclopropyl-1,3-oxazol-2-yl)methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(4-cyclopropyl-1,3-oxazol-2-yl)methyl]carbamate
PubChem CID167047305
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Nametert-butyl N-[(4-cyclopropyl-1,3-oxazol-2-yl)methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1nc(C2CC2)co1
InChIInChI=1S/C12H18N2O3/c1-12(2,3)17-11(15)13-6-10-14-9(7-16-10)8-4-5-8/h7-8H,4-6H2,1-3H3,(H,13,15)
InChIKeyBLMUMBOZDPHXHF-UHFFFAOYSA-N
XLogP2.58
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(4-cyclopropyl-1,3-oxazol-2-yl)methyl]carbamate?
The IUPAC name of tert-butyl N-[(4-cyclopropyl-1,3-oxazol-2-yl)methyl]carbamate (CID 167047305) is tert-butyl N-[(4-cyclopropyl-1,3-oxazol-2-yl)methyl]carbamate.
What is the SMILES notation for tert-butyl N-[(4-cyclopropyl-1,3-oxazol-2-yl)methyl]carbamate?
The canonical SMILES for tert-butyl N-[(4-cyclopropyl-1,3-oxazol-2-yl)methyl]carbamate is CC(C)(C)OC(=O)NCc1nc(C2CC2)co1.
What is the InChIKey of tert-butyl N-[(4-cyclopropyl-1,3-oxazol-2-yl)methyl]carbamate?
The InChIKey is BLMUMBOZDPHXHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-12(2,3)17-11(15)13-6-10-14-9(7-16-10)8-4-5-8/h7-8H,4-6H2,1-3H3,(H,13,15).
What are the key properties of tert-butyl N-[(4-cyclopropyl-1,3-oxazol-2-yl)methyl]carbamate?
tert-butyl N-[(4-cyclopropyl-1,3-oxazol-2-yl)methyl]carbamate has a molecular weight of 238.29 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(4-cyclopropyl-1,3-oxazol-2-yl)methyl]carbamate is sourced from PubChem (CID 167047305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).