6-propanoyl-3H-1,3-benzoxazol-2-one

C10H9NO3 — CID 3042947

IUPAC6-propanoyl-3H-1,3-benzoxazol-2-one
SMILESCCC(=O)c1ccc2[nH]c(=O)oc2c1
InChIInChI=1S/C10H9NO3/c1-2-8(12)6-3-4-7-9(5-6)14-10(13)11-7/h3-5H,2H2,1H3,(H,11,13)
InChIKeyBRESOSPCSIHWHK-UHFFFAOYSA-N
MW191.19 g/mol
LogP1.71
Rot. Bonds2

About 6-propanoyl-3H-1,3-benzoxazol-2-one

6-propanoyl-3H-1,3-benzoxazol-2-one (PubChem CID 3042947) has the molecular formula C10H9NO3 and a molecular weight of 191.19 g/mol. Its IUPAC name is 6-propanoyl-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-propanoyl-3H-1,3-benzoxazol-2-one
PubChem CID3042947
Molecular FormulaC10H9NO3
Molecular Weight191.19 g/mol
Exact Mass191.06
IUPAC Name6-propanoyl-3H-1,3-benzoxazol-2-one
SMILESCCC(=O)c1ccc2[nH]c(=O)oc2c1
InChIInChI=1S/C10H9NO3/c1-2-8(12)6-3-4-7-9(5-6)14-10(13)11-7/h3-5H,2H2,1H3,(H,11,13)
InChIKeyBRESOSPCSIHWHK-UHFFFAOYSA-N
XLogP1.71
TPSA63.07 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-propanoyl-3H-1,3-benzoxazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(2-Chloroacetyl)-2,3-dihydro-1,3-benzoxazol-2-one
CID 1988981
4-Acetyl-2(3H)-benzoxazolone
CID 9989779
2(3H)-Benzoxazolone, 6-acetyl-
CID 689054
Emd 95885
CID 177328
3-(1-Piperidinopropyl)-6-propanoyl benzoxazolin-2-one, 6
CID 10313682
6-acetyl-3-(4-(4-(4-fluorophenyl)piperazin-1-yl)butyl)benzo(d)oxazol-2(3H)-one
CID 24763643
2-Oxo-2,3-dihydro-1,3-benzoxazole-6-carbaldehyde
CID 391474
2(3H)-Benzoxazolone, 6-benzoyl-3-methyl-
CID 657655
2(3H)-Benzoxazolone, 6-(phenylacetyl)-
CID 391454
6-Benzoyl-2(3H)-benzoxazolone
CID 41225
Methyl 2-oxo-2,3-dihydro-1,3-benzoxazole-6-carboxylate
CID 12564532
phenyl N-(4-acetylphenyl)carbamate
CID 806009

Frequently Asked Questions

What is the IUPAC name of 6-propanoyl-3H-1,3-benzoxazol-2-one?
The IUPAC name of 6-propanoyl-3H-1,3-benzoxazol-2-one (CID 3042947) is 6-propanoyl-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-propanoyl-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 6-propanoyl-3H-1,3-benzoxazol-2-one is CCC(=O)c1ccc2[nH]c(=O)oc2c1.
What is the InChIKey of 6-propanoyl-3H-1,3-benzoxazol-2-one?
The InChIKey is BRESOSPCSIHWHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO3/c1-2-8(12)6-3-4-7-9(5-6)14-10(13)11-7/h3-5H,2H2,1H3,(H,11,13).
What are the key properties of 6-propanoyl-3H-1,3-benzoxazol-2-one?
6-propanoyl-3H-1,3-benzoxazol-2-one has a molecular weight of 191.19 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propanoyl-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 3042947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).