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

C10H9ClN2O3 — CID 2726310

IUPAC(5-chloro-1,2-benzoxazol-3-yl) N,N-dimethylcarbamate
SMILESCN(C)C(=O)OC1=NOC2=C1C=C(C=C2)Cl
InChIInChI=1S/C10H9ClN2O3/c1-13(2)10(14)15-9-7-5-6(11)3-4-8(7)16-12-9/h3-5H,1-2H3
InChIKeyFRBDVDNNCKLJFZ-UHFFFAOYSA-N
MW240.64 g/mol
LogP2.40
Rot. Bonds2

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

(5-chloro-1,2-benzoxazol-3-yl) N,N-dimethylcarbamate (PubChem CID 2726310) has the molecular formula C10H9ClN2O3 and a molecular weight of 240.64 g/mol. Its IUPAC name is (5-chloro-1,2-benzoxazol-3-yl) N,N-dimethylcarbamate.

Molecular Properties

Compound Name(5-chloro-1,2-benzoxazol-3-yl) N,N-dimethylcarbamate
PubChem CID2726310
Molecular FormulaC10H9ClN2O3
Molecular Weight240.64 g/mol
Exact Mass240.03
IUPAC Name(5-chloro-1,2-benzoxazol-3-yl) N,N-dimethylcarbamate
SMILESCN(C)C(=O)OC1=NOC2=C1C=C(C=C2)Cl
InChIInChI=1S/C10H9ClN2O3/c1-13(2)10(14)15-9-7-5-6(11)3-4-8(7)16-12-9/h3-5H,1-2H3
InChIKeyFRBDVDNNCKLJFZ-UHFFFAOYSA-N
XLogP2.40
TPSA55.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity275

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.64
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-chlorobenzo[d]isoxazol-3-yl N,N-dimethylcarbamate
CID 2726311
benzo[d]isoxazol-3-yl N,N-dimethylcarbamate
CID 2726312
6-Chloro-3-methoxy-1,2-benzoxazole
CID 24825664
6-Chlorobenzo[d]isoxazol-3-yl 4-trifluoromethylpiperidine-1-carboxylate
CID 11857752
6-Chlorobenzo[d]isoxazol-3-yl 4-methylpiperidine-1-carboxylate
CID 12001416
Phosphorothioic acid, O-(5-chloro-1,2-benzisoxazol-3-yl) O,O-diethyl ester
CID 199424
(6-chloro-1,2-benzoxazol-3-yl) N-propan-2-ylcarbamate
CID 2726329
(5-chloro-1,2-benzoxazol-3-yl) N-propan-2-ylcarbamate
CID 2726330
(5-methyl-1,2-benzoxazol-3-yl) N-ethylcarbamate
CID 2726335
1-[(5-Chloro-1,2-benzoxazol-3-yl)oxy]-3-fluoropropan-2-amine
CID 23368398
(6-Chloro-1,2-benzoxazol-3-yl) morpholine-4-carboxylate
CID 53364501
(6-Chloro-1,2-benzoxazol-3-yl) piperidine-1-carboxylate
CID 53364513

Frequently Asked Questions

What is the IUPAC name of (5-chloro-1,2-benzoxazol-3-yl) N,N-dimethylcarbamate?
The IUPAC name of (5-chloro-1,2-benzoxazol-3-yl) N,N-dimethylcarbamate (CID 2726310) is (5-chloro-1,2-benzoxazol-3-yl) N,N-dimethylcarbamate.
What is the SMILES notation for (5-chloro-1,2-benzoxazol-3-yl) N,N-dimethylcarbamate?
The canonical SMILES for (5-chloro-1,2-benzoxazol-3-yl) N,N-dimethylcarbamate is CN(C)C(=O)OC1=NOC2=C1C=C(C=C2)Cl.
What is the InChIKey of (5-chloro-1,2-benzoxazol-3-yl) N,N-dimethylcarbamate?
The InChIKey is FRBDVDNNCKLJFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O3/c1-13(2)10(14)15-9-7-5-6(11)3-4-8(7)16-12-9/h3-5H,1-2H3.
What are the key properties of (5-chloro-1,2-benzoxazol-3-yl) N,N-dimethylcarbamate?
(5-chloro-1,2-benzoxazol-3-yl) N,N-dimethylcarbamate has a molecular weight of 240.64 g/mol, XLogP of 2.40, 2 rotatable bonds, 0 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,N-dimethylcarbamate is sourced from PubChem (CID 2726310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).