(6-chloro-1,2-benzoxazol-3-yl) N,N-dimethylcarbamate

C10H9ClN2O3 — CID 2726311

IUPAC(6-chloro-1,2-benzoxazol-3-yl) N,N-dimethylcarbamate
SMILESCN(C)C(=O)Oc1noc2cc(Cl)ccc12
InChIInChI=1S/C10H9ClN2O3/c1-13(2)10(14)15-9-7-4-3-6(11)5-8(7)16-12-9/h3-5H,1-2H3
InChIKeyIAGSCLYNFVGIIM-UHFFFAOYSA-N
MW240.65 g/mol
LogP2.54
Rot. Bonds1

About (6-chloro-1,2-benzoxazol-3-yl) N,N-dimethylcarbamate

(6-chloro-1,2-benzoxazol-3-yl) N,N-dimethylcarbamate (PubChem CID 2726311) has the molecular formula C10H9ClN2O3 and a molecular weight of 240.65 g/mol. Its IUPAC name is (6-chloro-1,2-benzoxazol-3-yl) N,N-dimethylcarbamate.

Molecular Properties

Compound Name(6-chloro-1,2-benzoxazol-3-yl) N,N-dimethylcarbamate
PubChem CID2726311
Molecular FormulaC10H9ClN2O3
Molecular Weight240.65 g/mol
Exact Mass240.03
IUPAC Name(6-chloro-1,2-benzoxazol-3-yl) N,N-dimethylcarbamate
SMILESCN(C)C(=O)Oc1noc2cc(Cl)ccc12
InChIInChI=1S/C10H9ClN2O3/c1-13(2)10(14)15-9-7-4-3-6(11)5-8(7)16-12-9/h3-5H,1-2H3
InChIKeyIAGSCLYNFVGIIM-UHFFFAOYSA-N
XLogP2.54
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.65
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6-chloro-1,2-benzoxazol-3-yl) N,N-dimethylcarbamate?
The IUPAC name of (6-chloro-1,2-benzoxazol-3-yl) N,N-dimethylcarbamate (CID 2726311) is (6-chloro-1,2-benzoxazol-3-yl) N,N-dimethylcarbamate.
What is the SMILES notation for (6-chloro-1,2-benzoxazol-3-yl) N,N-dimethylcarbamate?
The canonical SMILES for (6-chloro-1,2-benzoxazol-3-yl) N,N-dimethylcarbamate is CN(C)C(=O)Oc1noc2cc(Cl)ccc12.
What is the InChIKey of (6-chloro-1,2-benzoxazol-3-yl) N,N-dimethylcarbamate?
The InChIKey is IAGSCLYNFVGIIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O3/c1-13(2)10(14)15-9-7-4-3-6(11)5-8(7)16-12-9/h3-5H,1-2H3.
What are the key properties of (6-chloro-1,2-benzoxazol-3-yl) N,N-dimethylcarbamate?
(6-chloro-1,2-benzoxazol-3-yl) N,N-dimethylcarbamate has a molecular weight of 240.65 g/mol, XLogP of 2.54, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-1,2-benzoxazol-3-yl) N,N-dimethylcarbamate is sourced from PubChem (CID 2726311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).