methyl N-[2-(1,3-benzoxazol-5-yl)ethyl]carbamate

C11H12N2O3 — CID 110707385

IUPACmethyl N-[2-(1,3-benzoxazol-5-yl)ethyl]carbamate
SMILESCOC(=O)NCCc1ccc2ocnc2c1
InChIInChI=1S/C11H12N2O3/c1-15-11(14)12-5-4-8-2-3-10-9(6-8)13-7-16-10/h2-3,6-7H,4-5H2,1H3,(H,12,14)
InChIKeyUEBJLBGYZHTZBU-UHFFFAOYSA-N
MW220.23 g/mol
LogP1.73
Rot. Bonds3

About methyl N-[2-(1,3-benzoxazol-5-yl)ethyl]carbamate

methyl N-[2-(1,3-benzoxazol-5-yl)ethyl]carbamate (PubChem CID 110707385) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is methyl N-[2-(1,3-benzoxazol-5-yl)ethyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-(1,3-benzoxazol-5-yl)ethyl]carbamate
PubChem CID110707385
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC Namemethyl N-[2-(1,3-benzoxazol-5-yl)ethyl]carbamate
SMILESCOC(=O)NCCc1ccc2ocnc2c1
InChIInChI=1S/C11H12N2O3/c1-15-11(14)12-5-4-8-2-3-10-9(6-8)13-7-16-10/h2-3,6-7H,4-5H2,1H3,(H,12,14)
InChIKeyUEBJLBGYZHTZBU-UHFFFAOYSA-N
XLogP1.73
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1,3-benzoxazol-5-yl)ethyl]-2-(2-methoxyphenyl)acetamide
CID 110707409
N-[2-(1,3-benzoxazol-5-yl)ethyl]-3-(3-methoxyphenyl)propanamide
CID 110707393
2-(1,3-benzoxazol-5-yl)-N-ethylethanamine
CID 82490944
N-[2-(1,3-benzoxazol-5-yl)ethyl]adamantane-1-carboxamide
CID 110707389
N-[2-(1,3-benzoxazol-5-yl)ethyl]-5-oxopyrrolidine-2-carboxamide
CID 110741045
phenyl N-[2-(1,3-benzoxazol-6-yl)ethyl]carbamate
CID 110790963
N-[2-(1,3-benzoxazol-5-yl)ethyl]-2-(2-fluorophenyl)acetamide
CID 110707405
N-[2-(1,3-benzoxazol-5-yl)ethyl]-3-chlorobenzamide
CID 110707375
N-[2-(1,3-benzoxazol-5-yl)ethyl]-3-fluorobenzamide
CID 110707351
1-[2-(1,3-benzoxazol-6-yl)ethyl]-3-methylurea
CID 115169389
N-[2-(1,3-benzoxazol-5-yl)ethyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 110707373
3-(1,3-benzoxazol-5-yl)-N-methylpropan-1-amine
CID 82490943

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-(1,3-benzoxazol-5-yl)ethyl]carbamate?
The IUPAC name of methyl N-[2-(1,3-benzoxazol-5-yl)ethyl]carbamate (CID 110707385) is methyl N-[2-(1,3-benzoxazol-5-yl)ethyl]carbamate.
What is the SMILES notation for methyl N-[2-(1,3-benzoxazol-5-yl)ethyl]carbamate?
The canonical SMILES for methyl N-[2-(1,3-benzoxazol-5-yl)ethyl]carbamate is COC(=O)NCCc1ccc2ocnc2c1.
What is the InChIKey of methyl N-[2-(1,3-benzoxazol-5-yl)ethyl]carbamate?
The InChIKey is UEBJLBGYZHTZBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3/c1-15-11(14)12-5-4-8-2-3-10-9(6-8)13-7-16-10/h2-3,6-7H,4-5H2,1H3,(H,12,14).
What are the key properties of methyl N-[2-(1,3-benzoxazol-5-yl)ethyl]carbamate?
methyl N-[2-(1,3-benzoxazol-5-yl)ethyl]carbamate has a molecular weight of 220.23 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-(1,3-benzoxazol-5-yl)ethyl]carbamate is sourced from PubChem (CID 110707385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).