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

C12H18N2O3 — CID 142576896

IUPACtert-butyl N-methyl-N-[1-(1,3-oxazol-5-yl)cyclopropyl]carbamate
SMILESCN(C(=O)OC(C)(C)C)C1(c2cnco2)CC1
InChIInChI=1S/C12H18N2O3/c1-11(2,3)17-10(15)14(4)12(5-6-12)9-7-13-8-16-9/h7-8H,5-6H2,1-4H3
InChIKeyJGBAAQHXFCRRON-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.53
Rot. Bonds2

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

tert-butyl N-methyl-N-[1-(1,3-oxazol-5-yl)cyclopropyl]carbamate (PubChem CID 142576896) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[1-(1,3-oxazol-5-yl)cyclopropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-[1-(1,3-oxazol-5-yl)cyclopropyl]carbamate
PubChem CID142576896
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Nametert-butyl N-methyl-N-[1-(1,3-oxazol-5-yl)cyclopropyl]carbamate
SMILESCN(C(=O)OC(C)(C)C)C1(c2cnco2)CC1
InChIInChI=1S/C12H18N2O3/c1-11(2,3)17-10(15)14(4)12(5-6-12)9-7-13-8-16-9/h7-8H,5-6H2,1-4H3
InChIKeyJGBAAQHXFCRRON-UHFFFAOYSA-N
XLogP2.53
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-[1-(1,3-oxazol-5-yl)cyclopropyl]carbamate?
The IUPAC name of tert-butyl N-methyl-N-[1-(1,3-oxazol-5-yl)cyclopropyl]carbamate (CID 142576896) is tert-butyl N-methyl-N-[1-(1,3-oxazol-5-yl)cyclopropyl]carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-[1-(1,3-oxazol-5-yl)cyclopropyl]carbamate?
The canonical SMILES for tert-butyl N-methyl-N-[1-(1,3-oxazol-5-yl)cyclopropyl]carbamate is CN(C(=O)OC(C)(C)C)C1(c2cnco2)CC1.
What is the InChIKey of tert-butyl N-methyl-N-[1-(1,3-oxazol-5-yl)cyclopropyl]carbamate?
The InChIKey is JGBAAQHXFCRRON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-11(2,3)17-10(15)14(4)12(5-6-12)9-7-13-8-16-9/h7-8H,5-6H2,1-4H3.
What are the key properties of tert-butyl N-methyl-N-[1-(1,3-oxazol-5-yl)cyclopropyl]carbamate?
tert-butyl N-methyl-N-[1-(1,3-oxazol-5-yl)cyclopropyl]carbamate has a molecular weight of 238.29 g/mol, XLogP of 2.53, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-[1-(1,3-oxazol-5-yl)cyclopropyl]carbamate is sourced from PubChem (CID 142576896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).