2,3,5,6-tetrahydro-1,3-benzoxazole

C7H9NO — CID 145267150

IUPAC2,3,5,6-tetrahydro-1,3-benzoxazole
SMILESC1=C2NCOC2=CCC1
InChIInChI=1S/C7H9NO/c1-2-4-7-6(3-1)8-5-9-7/h3-4,8H,1-2,5H2
InChIKeyBWIDQENZHVJREC-UHFFFAOYSA-N
MW123.15 g/mol
LogP1.13
Rot. Bonds

About 2,3,5,6-tetrahydro-1,3-benzoxazole

2,3,5,6-tetrahydro-1,3-benzoxazole (PubChem CID 145267150) has the molecular formula C7H9NO and a molecular weight of 123.15 g/mol. Its IUPAC name is 2,3,5,6-tetrahydro-1,3-benzoxazole.

Molecular Properties

Compound Name2,3,5,6-tetrahydro-1,3-benzoxazole
PubChem CID145267150
Molecular FormulaC7H9NO
Molecular Weight123.15 g/mol
Exact Mass123.07
IUPAC Name2,3,5,6-tetrahydro-1,3-benzoxazole
SMILESC1=C2NCOC2=CCC1
InChIInChI=1S/C7H9NO/c1-2-4-7-6(3-1)8-5-9-7/h3-4,8H,1-2,5H2
InChIKeyBWIDQENZHVJREC-UHFFFAOYSA-N
XLogP1.13
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.15
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;(4E,5E)-4-ethylidene-5-propylidene-1,3-oxazolidine
CID 142300254
3,4a,5,5a-tetrahydro-2H-cyclopropa[f][1,3]benzoxazole;ethane
CID 142381413
6-methoxy-N-methylcyclohexa-1,5-dien-1-amine
CID 142506360
2-Ethylidene-3-methyl-5,6-dihydro-1,3-benzoxazole
CID 143723737
5-methyl-3,4a,5,5a-tetrahydro-2H-cyclopropa[f][1,3]benzoxazole;molecular hydrogen
CID 145057991
Ethane;2,3,5,6-tetrahydro-1,3-benzoxazole
CID 145267149
(5E)-4-methylidene-5-(2-methylprop-2-enylidene)-1,3-oxazolidine
CID 162723403
(4aS)-3,4a,5,5a-tetrahydro-2H-cyclopropa[f][1,3]benzoxazole
CID 163672161
2,8-dihydro-1H-indeno[1,2-d][1,3]oxazole
CID 175028747
(4E,5E)-4-ethylidene-5-propylidene-1,3-oxazolidine
CID 142300255
3,4a,5,5a-tetrahydro-2H-cyclopropa[f][1,3]benzoxazole
CID 142381414
(4E)-5-methylidene-4-(2-methylprop-2-enylidene)-1,3-oxazolidine
CID 143256829

Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetrahydro-1,3-benzoxazole?
The IUPAC name of 2,3,5,6-tetrahydro-1,3-benzoxazole (CID 145267150) is 2,3,5,6-tetrahydro-1,3-benzoxazole.
What is the SMILES notation for 2,3,5,6-tetrahydro-1,3-benzoxazole?
The canonical SMILES for 2,3,5,6-tetrahydro-1,3-benzoxazole is C1=C2NCOC2=CCC1.
What is the InChIKey of 2,3,5,6-tetrahydro-1,3-benzoxazole?
The InChIKey is BWIDQENZHVJREC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO/c1-2-4-7-6(3-1)8-5-9-7/h3-4,8H,1-2,5H2.
What are the key properties of 2,3,5,6-tetrahydro-1,3-benzoxazole?
2,3,5,6-tetrahydro-1,3-benzoxazole has a molecular weight of 123.15 g/mol, XLogP of 1.13, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetrahydro-1,3-benzoxazole is sourced from PubChem (CID 145267150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).