[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-oxazol-5-yl] N-benzyl-N-ethylcarbamate

C18H23N3O5 — CID 174494005

IUPAC[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-oxazol-5-yl] N-benzyl-N-ethylcarbamate
SMILESCCN(Cc1ccccc1)C(=O)Oc1cnc(NC(=O)OC(C)(C)C)o1
InChIInChI=1S/C18H23N3O5/c1-5-21(12-13-9-7-6-8-10-13)17(23)25-14-11-19-15(24-14)20-16(22)26-18(2,3)4/h6-11H,5,12H2,1-4H3,(H,19,20,22)
InChIKeyJTGIARHKOYLUPR-UHFFFAOYSA-N
MW361.40 g/mol
LogP4.04
Rot. Bonds5

About [2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-oxazol-5-yl] N-benzyl-N-ethylcarbamate

[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-oxazol-5-yl] N-benzyl-N-ethylcarbamate (PubChem CID 174494005) has the molecular formula C18H23N3O5 and a molecular weight of 361.40 g/mol. Its IUPAC name is [2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-oxazol-5-yl] N-benzyl-N-ethylcarbamate.

Molecular Properties

Compound Name[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-oxazol-5-yl] N-benzyl-N-ethylcarbamate
PubChem CID174494005
Molecular FormulaC18H23N3O5
Molecular Weight361.40 g/mol
Exact Mass361.16
IUPAC Name[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-oxazol-5-yl] N-benzyl-N-ethylcarbamate
SMILESCCN(Cc1ccccc1)C(=O)Oc1cnc(NC(=O)OC(C)(C)C)o1
InChIInChI=1S/C18H23N3O5/c1-5-21(12-13-9-7-6-8-10-13)17(23)25-14-11-19-15(24-14)20-16(22)26-18(2,3)4/h6-11H,5,12H2,1-4H3,(H,19,20,22)
InChIKeyJTGIARHKOYLUPR-UHFFFAOYSA-N
XLogP4.04
TPSA93.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-oxazol-5-yl] N-benzyl-N-ethylcarbamate?
The IUPAC name of [2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-oxazol-5-yl] N-benzyl-N-ethylcarbamate (CID 174494005) is [2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-oxazol-5-yl] N-benzyl-N-ethylcarbamate.
What is the SMILES notation for [2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-oxazol-5-yl] N-benzyl-N-ethylcarbamate?
The canonical SMILES for [2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-oxazol-5-yl] N-benzyl-N-ethylcarbamate is CCN(Cc1ccccc1)C(=O)Oc1cnc(NC(=O)OC(C)(C)C)o1.
What is the InChIKey of [2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-oxazol-5-yl] N-benzyl-N-ethylcarbamate?
The InChIKey is JTGIARHKOYLUPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O5/c1-5-21(12-13-9-7-6-8-10-13)17(23)25-14-11-19-15(24-14)20-16(22)26-18(2,3)4/h6-11H,5,12H2,1-4H3,(H,19,20,22).
What are the key properties of [2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-oxazol-5-yl] N-benzyl-N-ethylcarbamate?
[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-oxazol-5-yl] N-benzyl-N-ethylcarbamate has a molecular weight of 361.40 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-oxazol-5-yl] N-benzyl-N-ethylcarbamate is sourced from PubChem (CID 174494005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).