5,6-dihydro-3H-1,3-benzoxazol-2-one

C7H7NO2 — CID 69153790

IUPAC5,6-dihydro-3H-1,3-benzoxazol-2-one
SMILESO=c1[nH]c2c(o1)=CCCC=2
InChIInChI=1S/C7H7NO2/c9-7-8-5-3-1-2-4-6(5)10-7/h3-4H,1-2H2,(H,8,9)
InChIKeyYTSFKQYWJBQGMM-UHFFFAOYSA-N
MW137.14 g/mol
LogP-0.68
Rot. Bonds

About 5,6-dihydro-3H-1,3-benzoxazol-2-one

5,6-dihydro-3H-1,3-benzoxazol-2-one (PubChem CID 69153790) has the molecular formula C7H7NO2 and a molecular weight of 137.14 g/mol. Its IUPAC name is 5,6-dihydro-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name5,6-dihydro-3H-1,3-benzoxazol-2-one
PubChem CID69153790
Molecular FormulaC7H7NO2
Molecular Weight137.14 g/mol
Exact Mass137.05
IUPAC Name5,6-dihydro-3H-1,3-benzoxazol-2-one
SMILESO=c1[nH]c2c(o1)=CCCC=2
InChIInChI=1S/C7H7NO2/c9-7-8-5-3-1-2-4-6(5)10-7/h3-4H,1-2H2,(H,8,9)
InChIKeyYTSFKQYWJBQGMM-UHFFFAOYSA-N
XLogP-0.68
TPSA46.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.14
LogP ≤ 5-0.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4,5-dihydro-3H-1,3-benzoxazol-2-one
CID 69153793
3,7-dihydro-[1,3]oxazolo[5,4-f][1,3]benzoxazole-2,6-dione
CID 102579895
6-amino-3H-furo[2,3-d][1,3]oxazol-2-one
CID 69288301
1H-3,1-benzoxazine-2,4-dione;hydrochloride
CID 142025242
4-oxo-6,7-dihydrochromene-2-carbonyl iodide
CID 145040071
2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4,8(16),11-tetraene-3,10-dione
CID 141309554
3,4,5,6,7,8-hexahydrocyclohepta[d][1,3]oxazol-2-one
CID 134914959
7-amino-4,6-dichloro-3H-1,3-benzoxazol-2-one
CID 82230833
5-(1,1-difluoroethyl)-4-methyl-3H-1,3-oxazol-2-one
CID 84764557
5,6-difluoro-3H-1,3-benzoxazol-2-one
CID 11535637
4-iodo-5-methyl-3H-1,3-oxazol-2-one
CID 122692101
4-chloro-5-hydroxy-3H-1,3-oxazol-2-one
CID 69333997

Frequently Asked Questions

What is the IUPAC name of 5,6-dihydro-3H-1,3-benzoxazol-2-one?
The IUPAC name of 5,6-dihydro-3H-1,3-benzoxazol-2-one (CID 69153790) is 5,6-dihydro-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 5,6-dihydro-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 5,6-dihydro-3H-1,3-benzoxazol-2-one is O=c1[nH]c2c(o1)=CCCC=2.
What is the InChIKey of 5,6-dihydro-3H-1,3-benzoxazol-2-one?
The InChIKey is YTSFKQYWJBQGMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO2/c9-7-8-5-3-1-2-4-6(5)10-7/h3-4H,1-2H2,(H,8,9).
What are the key properties of 5,6-dihydro-3H-1,3-benzoxazol-2-one?
5,6-dihydro-3H-1,3-benzoxazol-2-one has a molecular weight of 137.14 g/mol, XLogP of -0.68, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dihydro-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 69153790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).