2-ethyl-2,3-dihydro-1,3-benzoxazole

C9H11NO — CID 55303047

IUPAC2-ethyl-2,3-dihydro-1,3-benzoxazole
SMILESCCC1Nc2ccccc2O1
InChIInChI=1S/C9H11NO/c1-2-9-10-7-5-3-4-6-8(7)11-9/h3-6,9-10H,2H2,1H3
InChIKeyRVNPAYFXAAFCFO-UHFFFAOYSA-N
MW149.19 g/mol
LogP2.23
Rot. Bonds1

About 2-ethyl-2,3-dihydro-1,3-benzoxazole

2-ethyl-2,3-dihydro-1,3-benzoxazole (PubChem CID 55303047) has the molecular formula C9H11NO and a molecular weight of 149.19 g/mol. Its IUPAC name is 2-ethyl-2,3-dihydro-1,3-benzoxazole.

Molecular Properties

Compound Name2-ethyl-2,3-dihydro-1,3-benzoxazole
PubChem CID55303047
Molecular FormulaC9H11NO
Molecular Weight149.19 g/mol
Exact Mass149.08
IUPAC Name2-ethyl-2,3-dihydro-1,3-benzoxazole
SMILESCCC1Nc2ccccc2O1
InChIInChI=1S/C9H11NO/c1-2-9-10-7-5-3-4-6-8(7)11-9/h3-6,9-10H,2H2,1H3
InChIKeyRVNPAYFXAAFCFO-UHFFFAOYSA-N
XLogP2.23
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl)methanol
CID 84618456
2-methylsulfanyl-2,3-dihydro-1,3-benzoxazole
CID 142926146
2-[4-(2,3-dihydro-1,3-benzoxazol-2-yl)phenyl]-2,3-dihydro-1,3-benzoxazole
CID 66584986
N-(2,3-dihydro-1,3-benzoxazol-2-yl)hydroxylamine
CID 13004329
3-propyl-3,4-dihydro-2H-1,4-benzoxazine
CID 20571251
(5aS,11aR)-6,7,8,9,10,11,11a,12-octahydro-5aH-cycloocta[b][1,4]benzoxazine
CID 54857340
1,3-dimethyl-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine
CID 115825472
ethyl 3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate;ethyl 3,4-dihydro-2H-1,4-benzoxazine-3-carboxylate
CID 158675518
3,3a,9,9a-tetrahydro-1H-thieno[3,4-b][1,4]benzoxazine 2,2-dioxide
CID 84624877
2-[(2-ethylphenyl)methyl]-3,4-dihydro-2H-1,4-benzoxazine
CID 82228863
3-(4-ethylphenyl)-3,4-dihydro-2H-1,4-benzoxazine
CID 102567383
2-hexyl-3,4-dihydro-2H-1,4-benzoxazine
CID 86212480

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2,3-dihydro-1,3-benzoxazole?
The IUPAC name of 2-ethyl-2,3-dihydro-1,3-benzoxazole (CID 55303047) is 2-ethyl-2,3-dihydro-1,3-benzoxazole.
What is the SMILES notation for 2-ethyl-2,3-dihydro-1,3-benzoxazole?
The canonical SMILES for 2-ethyl-2,3-dihydro-1,3-benzoxazole is CCC1Nc2ccccc2O1.
What is the InChIKey of 2-ethyl-2,3-dihydro-1,3-benzoxazole?
The InChIKey is RVNPAYFXAAFCFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO/c1-2-9-10-7-5-3-4-6-8(7)11-9/h3-6,9-10H,2H2,1H3.
What are the key properties of 2-ethyl-2,3-dihydro-1,3-benzoxazole?
2-ethyl-2,3-dihydro-1,3-benzoxazole has a molecular weight of 149.19 g/mol, XLogP of 2.23, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2,3-dihydro-1,3-benzoxazole is sourced from PubChem (CID 55303047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).