3-(2-oxopropyl)-1,3-benzoxazol-2-one

C10H9NO3 — CID 2744628

IUPAC3-(2-oxopropyl)-1,3-benzoxazol-2-one
SMILESCC(=O)Cn1c(=O)oc2ccccc21
InChIInChI=1S/C10H9NO3/c1-7(12)6-11-8-4-2-3-5-9(8)14-10(11)13/h2-5H,6H2,1H3
InChIKeyLWHIBCPFPKVXAC-UHFFFAOYSA-N
MW191.19 g/mol
LogP1.18
Rot. Bonds2

About 3-(2-oxopropyl)-1,3-benzoxazol-2-one

3-(2-oxopropyl)-1,3-benzoxazol-2-one (PubChem CID 2744628) has the molecular formula C10H9NO3 and a molecular weight of 191.19 g/mol. Its IUPAC name is 3-(2-oxopropyl)-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name3-(2-oxopropyl)-1,3-benzoxazol-2-one
PubChem CID2744628
Molecular FormulaC10H9NO3
Molecular Weight191.19 g/mol
Exact Mass191.06
IUPAC Name3-(2-oxopropyl)-1,3-benzoxazol-2-one
SMILESCC(=O)Cn1c(=O)oc2ccccc21
InChIInChI=1S/C10H9NO3/c1-7(12)6-11-8-4-2-3-5-9(8)14-10(11)13/h2-5H,6H2,1H3
InChIKeyLWHIBCPFPKVXAC-UHFFFAOYSA-N
XLogP1.18
TPSA52.21 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2(3H)-Benzoxazolone
CID 6043
Pardoprunox
CID 6918525
3-Benzyl-5-methyl-3H-benzooxazol-2-one
CID 1087842
3(2H)-Benzoxazolecarboxylic acid, 2-oxo-, ethyl ester
CID 28445
3-Methyl-1,3-benzoxazole-2(3H)-thione
CID 139538
2-Benzoxazolinone, 3-methyl-
CID 30846
3-(2-Oxo-2,3-dihydro-1,3-benzoxazol-3-yl)propanoic acid
CID 720147
3-benzyl-5-fluorobenzo[d]oxazol-2(3H)-one
CID 52942744
3-(2-oxo-1,3-benzoxazol-3(2H)-yl)propanamide
CID 825415
2-(5-bromo-2-oxo-1,3-benzoxazol-3(2H)-yl)-N-methyl-N-phenylacetamide
CID 23153762
Acetamide, 2-oxo-2-(1-pyrrolidinyl)-N-(2-methoxyphenyl)-
CID 550974
3-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1,3-benzoxazol-2(3H)-one
CID 2995774

Frequently Asked Questions

What is the IUPAC name of 3-(2-oxopropyl)-1,3-benzoxazol-2-one?
The IUPAC name of 3-(2-oxopropyl)-1,3-benzoxazol-2-one (CID 2744628) is 3-(2-oxopropyl)-1,3-benzoxazol-2-one.
What is the SMILES notation for 3-(2-oxopropyl)-1,3-benzoxazol-2-one?
The canonical SMILES for 3-(2-oxopropyl)-1,3-benzoxazol-2-one is CC(=O)Cn1c(=O)oc2ccccc21.
What is the InChIKey of 3-(2-oxopropyl)-1,3-benzoxazol-2-one?
The InChIKey is LWHIBCPFPKVXAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO3/c1-7(12)6-11-8-4-2-3-5-9(8)14-10(11)13/h2-5H,6H2,1H3.
What are the key properties of 3-(2-oxopropyl)-1,3-benzoxazol-2-one?
3-(2-oxopropyl)-1,3-benzoxazol-2-one has a molecular weight of 191.19 g/mol, XLogP of 1.18, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxopropyl)-1,3-benzoxazol-2-one is sourced from PubChem (CID 2744628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).