1,2-benzoxazol-3-yl N,N-dimethylcarbamate

C10H10N2O3 — CID 2726312

IUPAC1,2-benzoxazol-3-yl N,N-dimethylcarbamate
SMILESCN(C)C(=O)Oc1noc2ccccc12
InChIInChI=1S/C10H10N2O3/c1-12(2)10(13)14-9-7-5-3-4-6-8(7)15-11-9/h3-6H,1-2H3
InChIKeyCDLCMSLYICKBFX-UHFFFAOYSA-N
MW206.20 g/mol
LogP1.89
Rot. Bonds1

About 1,2-benzoxazol-3-yl N,N-dimethylcarbamate

1,2-benzoxazol-3-yl N,N-dimethylcarbamate (PubChem CID 2726312) has the molecular formula C10H10N2O3 and a molecular weight of 206.20 g/mol. Its IUPAC name is 1,2-benzoxazol-3-yl N,N-dimethylcarbamate.

Molecular Properties

Compound Name1,2-benzoxazol-3-yl N,N-dimethylcarbamate
PubChem CID2726312
Molecular FormulaC10H10N2O3
Molecular Weight206.20 g/mol
Exact Mass206.07
IUPAC Name1,2-benzoxazol-3-yl N,N-dimethylcarbamate
SMILESCN(C)C(=O)Oc1noc2ccccc12
InChIInChI=1S/C10H10N2O3/c1-12(2)10(13)14-9-7-5-3-4-6-8(7)15-11-9/h3-6H,1-2H3
InChIKeyCDLCMSLYICKBFX-UHFFFAOYSA-N
XLogP1.89
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(6-chloro-1,2-benzoxazol-3-yl) N,N-dimethylcarbamate
CID 2726311
N-(1,2-benzoxazol-3-yl)-2-methyl-N-(2-methylpropanoyl)propanamide
CID 58951502
[(2R)-1-(dimethylamino)-1-oxopropan-2-yl] 2-(1,2-benzoxazol-3-yl)acetate
CID 8985277
[4-(dimethylcarbamoyloxy)-2,3-dimethoxynaphthalen-1-yl] N,N-dimethylcarbamate
CID 14302870
(2S)-1-(1,2-benzoxazol-3-yloxy)-3-methylbutan-2-amine
CID 67733558
[(2R)-2-amino-3-(1,2-benzoxazol-3-yloxy)propyl] carbamate
CID 67733596
N-methyl-1,2-benzoxazole-3-carboxamide
CID 10419698
2-(1,2-benzoxazol-3-yl)-N-(2-hydroxyethyl)-N-propan-2-ylacetamide
CID 43572973
2-(1,2-benzoxazol-3-yl)-N-(1-hydroxypropan-2-yl)-N-methylacetamide
CID 113337577
2-(1,2-benzoxazol-3-ylamino)propanoic acid
CID 69119449
N-(1-aminopropan-2-yl)-2-(1,2-benzoxazol-3-yl)-N-methylacetamide
CID 119585056
acetic acid;ethane;3-phenyl-1,2-benzoxazole
CID 143217944

Frequently Asked Questions

What is the IUPAC name of 1,2-benzoxazol-3-yl N,N-dimethylcarbamate?
The IUPAC name of 1,2-benzoxazol-3-yl N,N-dimethylcarbamate (CID 2726312) is 1,2-benzoxazol-3-yl N,N-dimethylcarbamate.
What is the SMILES notation for 1,2-benzoxazol-3-yl N,N-dimethylcarbamate?
The canonical SMILES for 1,2-benzoxazol-3-yl N,N-dimethylcarbamate is CN(C)C(=O)Oc1noc2ccccc12.
What is the InChIKey of 1,2-benzoxazol-3-yl N,N-dimethylcarbamate?
The InChIKey is CDLCMSLYICKBFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3/c1-12(2)10(13)14-9-7-5-3-4-6-8(7)15-11-9/h3-6H,1-2H3.
What are the key properties of 1,2-benzoxazol-3-yl N,N-dimethylcarbamate?
1,2-benzoxazol-3-yl N,N-dimethylcarbamate has a molecular weight of 206.20 g/mol, XLogP of 1.89, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-benzoxazol-3-yl N,N-dimethylcarbamate is sourced from PubChem (CID 2726312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).