methyl N-(4-methoxy-7-methyl-1,3-benzoxazol-2-yl)carbamate

C11H12N2O4 — CID 142921913

IUPACmethyl N-(4-methoxy-7-methyl-1,3-benzoxazol-2-yl)carbamate
SMILESCOC(=O)Nc1nc2c(OC)ccc(C)c2o1
InChIInChI=1S/C11H12N2O4/c1-6-4-5-7(15-2)8-9(6)17-10(12-8)13-11(14)16-3/h4-5H,1-3H3,(H,12,13,14)
InChIKeyAXNLAQBNUFZYII-UHFFFAOYSA-N
MW236.23 g/mol
LogP2.32
Rot. Bonds2

About methyl N-(4-methoxy-7-methyl-1,3-benzoxazol-2-yl)carbamate

methyl N-(4-methoxy-7-methyl-1,3-benzoxazol-2-yl)carbamate (PubChem CID 142921913) has the molecular formula C11H12N2O4 and a molecular weight of 236.23 g/mol. Its IUPAC name is methyl N-(4-methoxy-7-methyl-1,3-benzoxazol-2-yl)carbamate.

Molecular Properties

Compound Namemethyl N-(4-methoxy-7-methyl-1,3-benzoxazol-2-yl)carbamate
PubChem CID142921913
Molecular FormulaC11H12N2O4
Molecular Weight236.23 g/mol
Exact Mass236.08
IUPAC Namemethyl N-(4-methoxy-7-methyl-1,3-benzoxazol-2-yl)carbamate
SMILESCOC(=O)Nc1nc2c(OC)ccc(C)c2o1
InChIInChI=1S/C11H12N2O4/c1-6-4-5-7(15-2)8-9(6)17-10(12-8)13-11(14)16-3/h4-5H,1-3H3,(H,12,13,14)
InChIKeyAXNLAQBNUFZYII-UHFFFAOYSA-N
XLogP2.32
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl N-(4-methoxy-7-methyl-1,3-benzoxazol-2-yl)carbamate?
The IUPAC name of methyl N-(4-methoxy-7-methyl-1,3-benzoxazol-2-yl)carbamate (CID 142921913) is methyl N-(4-methoxy-7-methyl-1,3-benzoxazol-2-yl)carbamate.
What is the SMILES notation for methyl N-(4-methoxy-7-methyl-1,3-benzoxazol-2-yl)carbamate?
The canonical SMILES for methyl N-(4-methoxy-7-methyl-1,3-benzoxazol-2-yl)carbamate is COC(=O)Nc1nc2c(OC)ccc(C)c2o1.
What is the InChIKey of methyl N-(4-methoxy-7-methyl-1,3-benzoxazol-2-yl)carbamate?
The InChIKey is AXNLAQBNUFZYII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O4/c1-6-4-5-7(15-2)8-9(6)17-10(12-8)13-11(14)16-3/h4-5H,1-3H3,(H,12,13,14).
What are the key properties of methyl N-(4-methoxy-7-methyl-1,3-benzoxazol-2-yl)carbamate?
methyl N-(4-methoxy-7-methyl-1,3-benzoxazol-2-yl)carbamate has a molecular weight of 236.23 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(4-methoxy-7-methyl-1,3-benzoxazol-2-yl)carbamate is sourced from PubChem (CID 142921913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).