(5-methyl-1,2-benzoxazol-3-yl) N-ethylcarbamate

C11H12N2O3 — CID 2726335

IUPAC(5-methyl-1,2-benzoxazol-3-yl) N-ethylcarbamate
SMILESCCNC(=O)Oc1noc2ccc(C)cc12
InChIInChI=1S/C11H12N2O3/c1-3-12-11(14)15-10-8-6-7(2)4-5-9(8)16-13-10/h4-6H,3H2,1-2H3,(H,12,14)
InChIKeyNFZAYIGUCXYQKZ-UHFFFAOYSA-N
MW220.23 g/mol
LogP2.24
Rot. Bonds2

About (5-methyl-1,2-benzoxazol-3-yl) N-ethylcarbamate

(5-methyl-1,2-benzoxazol-3-yl) N-ethylcarbamate (PubChem CID 2726335) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is (5-methyl-1,2-benzoxazol-3-yl) N-ethylcarbamate.

Molecular Properties

Compound Name(5-methyl-1,2-benzoxazol-3-yl) N-ethylcarbamate
PubChem CID2726335
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC Name(5-methyl-1,2-benzoxazol-3-yl) N-ethylcarbamate
SMILESCCNC(=O)Oc1noc2ccc(C)cc12
InChIInChI=1S/C11H12N2O3/c1-3-12-11(14)15-10-8-6-7(2)4-5-9(8)16-13-10/h4-6H,3H2,1-2H3,(H,12,14)
InChIKeyNFZAYIGUCXYQKZ-UHFFFAOYSA-N
XLogP2.24
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-methyl-1,2-benzoxazol-3-yl) N-ethylcarbamate?
The IUPAC name of (5-methyl-1,2-benzoxazol-3-yl) N-ethylcarbamate (CID 2726335) is (5-methyl-1,2-benzoxazol-3-yl) N-ethylcarbamate.
What is the SMILES notation for (5-methyl-1,2-benzoxazol-3-yl) N-ethylcarbamate?
The canonical SMILES for (5-methyl-1,2-benzoxazol-3-yl) N-ethylcarbamate is CCNC(=O)Oc1noc2ccc(C)cc12.
What is the InChIKey of (5-methyl-1,2-benzoxazol-3-yl) N-ethylcarbamate?
The InChIKey is NFZAYIGUCXYQKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3/c1-3-12-11(14)15-10-8-6-7(2)4-5-9(8)16-13-10/h4-6H,3H2,1-2H3,(H,12,14).
What are the key properties of (5-methyl-1,2-benzoxazol-3-yl) N-ethylcarbamate?
(5-methyl-1,2-benzoxazol-3-yl) N-ethylcarbamate has a molecular weight of 220.23 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1,2-benzoxazol-3-yl) N-ethylcarbamate is sourced from PubChem (CID 2726335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).