(5-chloro-1,2-benzoxazol-3-yl) N-propan-2-ylcarbamate

C11H11ClN2O3 — CID 2726330

IUPAC(5-chloro-1,2-benzoxazol-3-yl) N-propan-2-ylcarbamate
SMILESCC(C)NC(=O)Oc1noc2ccc(Cl)cc12
InChIInChI=1S/C11H11ClN2O3/c1-6(2)13-11(15)16-10-8-5-7(12)3-4-9(8)17-14-10/h3-6H,1-2H3,(H,13,15)
InChIKeyYQMGOBWADZNHPX-UHFFFAOYSA-N
MW254.67 g/mol
LogP2.98
Rot. Bonds2

About (5-chloro-1,2-benzoxazol-3-yl) N-propan-2-ylcarbamate

(5-chloro-1,2-benzoxazol-3-yl) N-propan-2-ylcarbamate (PubChem CID 2726330) has the molecular formula C11H11ClN2O3 and a molecular weight of 254.67 g/mol. Its IUPAC name is (5-chloro-1,2-benzoxazol-3-yl) N-propan-2-ylcarbamate.

Molecular Properties

Compound Name(5-chloro-1,2-benzoxazol-3-yl) N-propan-2-ylcarbamate
PubChem CID2726330
Molecular FormulaC11H11ClN2O3
Molecular Weight254.67 g/mol
Exact Mass254.05
IUPAC Name(5-chloro-1,2-benzoxazol-3-yl) N-propan-2-ylcarbamate
SMILESCC(C)NC(=O)Oc1noc2ccc(Cl)cc12
InChIInChI=1S/C11H11ClN2O3/c1-6(2)13-11(15)16-10-8-5-7(12)3-4-9(8)17-14-10/h3-6H,1-2H3,(H,13,15)
InChIKeyYQMGOBWADZNHPX-UHFFFAOYSA-N
XLogP2.98
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.67
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-chloro-1,2-benzoxazol-3-yl) N-propan-2-ylcarbamate?
The IUPAC name of (5-chloro-1,2-benzoxazol-3-yl) N-propan-2-ylcarbamate (CID 2726330) is (5-chloro-1,2-benzoxazol-3-yl) N-propan-2-ylcarbamate.
What is the SMILES notation for (5-chloro-1,2-benzoxazol-3-yl) N-propan-2-ylcarbamate?
The canonical SMILES for (5-chloro-1,2-benzoxazol-3-yl) N-propan-2-ylcarbamate is CC(C)NC(=O)Oc1noc2ccc(Cl)cc12.
What is the InChIKey of (5-chloro-1,2-benzoxazol-3-yl) N-propan-2-ylcarbamate?
The InChIKey is YQMGOBWADZNHPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O3/c1-6(2)13-11(15)16-10-8-5-7(12)3-4-9(8)17-14-10/h3-6H,1-2H3,(H,13,15).
What are the key properties of (5-chloro-1,2-benzoxazol-3-yl) N-propan-2-ylcarbamate?
(5-chloro-1,2-benzoxazol-3-yl) N-propan-2-ylcarbamate has a molecular weight of 254.67 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-1,2-benzoxazol-3-yl) N-propan-2-ylcarbamate is sourced from PubChem (CID 2726330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).