6-(oxolane-3-carbonyl)-3H-1,3-benzoxazol-2-one

C12H11NO4 — CID 61273175

IUPAC6-(oxolane-3-carbonyl)-3H-1,3-benzoxazol-2-one
SMILESO=C(c1ccc2[nH]c(=O)oc2c1)C1CCOC1
InChIInChI=1S/C12H11NO4/c14-11(8-3-4-16-6-8)7-1-2-9-10(5-7)17-12(15)13-9/h1-2,5,8H,3-4,6H2,(H,13,15)
InChIKeyQQXTUWRGCKHFHA-UHFFFAOYSA-N
MW233.22 g/mol
LogP1.34
Rot. Bonds2

About 6-(oxolane-3-carbonyl)-3H-1,3-benzoxazol-2-one

6-(oxolane-3-carbonyl)-3H-1,3-benzoxazol-2-one (PubChem CID 61273175) has the molecular formula C12H11NO4 and a molecular weight of 233.22 g/mol. Its IUPAC name is 6-(oxolane-3-carbonyl)-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-(oxolane-3-carbonyl)-3H-1,3-benzoxazol-2-one
PubChem CID61273175
Molecular FormulaC12H11NO4
Molecular Weight233.22 g/mol
Exact Mass233.07
IUPAC Name6-(oxolane-3-carbonyl)-3H-1,3-benzoxazol-2-one
SMILESO=C(c1ccc2[nH]c(=O)oc2c1)C1CCOC1
InChIInChI=1S/C12H11NO4/c14-11(8-3-4-16-6-8)7-1-2-9-10(5-7)17-12(15)13-9/h1-2,5,8H,3-4,6H2,(H,13,15)
InChIKeyQQXTUWRGCKHFHA-UHFFFAOYSA-N
XLogP1.34
TPSA72.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.22
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(azetidine-3-carbonyl)-3H-1,3-benzoxazol-2-one
CID 90053957
oxolan-3-yl(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
CID 61272773
6-(3-chloropropanoyl)-3H-1,3-benzoxazol-2-one
CID 11790876
6-[amino(oxolan-3-yl)methyl]-3H-1,3-benzoxazol-2-one
CID 61270850
6-(2,2-dibromoacetyl)-3H-1,3-benzoxazol-2-one
CID 116827127
(4-chloro-3-methylphenyl)-(oxolan-3-yl)methanone
CID 114972047
6-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]-3H-1,3-benzoxazol-2-one
CID 43340126
2,3-dihydro-1H-indol-5-yl(oxolan-3-yl)methanone
CID 116554107
6-(oxolane-3-carbonyl)-4H-1,4-benzoxazin-3-one
CID 61273172
(3-iodophenyl)-(oxolan-3-yl)methanone
CID 114972035
6-(2-pyrrolidin-2-ylacetyl)-3H-1,3-benzoxazol-2-one
CID 116917019
2-oxo-N-(oxolan-3-yl)-3H-1,3-benzoxazole-6-sulfonamide
CID 110868860

Frequently Asked Questions

What is the IUPAC name of 6-(oxolane-3-carbonyl)-3H-1,3-benzoxazol-2-one?
The IUPAC name of 6-(oxolane-3-carbonyl)-3H-1,3-benzoxazol-2-one (CID 61273175) is 6-(oxolane-3-carbonyl)-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-(oxolane-3-carbonyl)-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 6-(oxolane-3-carbonyl)-3H-1,3-benzoxazol-2-one is O=C(c1ccc2[nH]c(=O)oc2c1)C1CCOC1.
What is the InChIKey of 6-(oxolane-3-carbonyl)-3H-1,3-benzoxazol-2-one?
The InChIKey is QQXTUWRGCKHFHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO4/c14-11(8-3-4-16-6-8)7-1-2-9-10(5-7)17-12(15)13-9/h1-2,5,8H,3-4,6H2,(H,13,15).
What are the key properties of 6-(oxolane-3-carbonyl)-3H-1,3-benzoxazol-2-one?
6-(oxolane-3-carbonyl)-3H-1,3-benzoxazol-2-one has a molecular weight of 233.22 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(oxolane-3-carbonyl)-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 61273175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).