3-methyl-5-(2-oxo-1,3-dihydroimidazol-4-yl)-1,3-benzoxazol-2-one

C11H9N3O3 — CID 116879745

IUPAC3-methyl-5-(2-oxo-1,3-dihydroimidazol-4-yl)-1,3-benzoxazol-2-one
SMILESCn1c(=O)oc2ccc(-c3c[nH]c(=O)[nH]3)cc21
InChIInChI=1S/C11H9N3O3/c1-14-8-4-6(7-5-12-10(15)13-7)2-3-9(8)17-11(14)16/h2-5H,1H3,(H2,12,13,15)
InChIKeyCUJPNMBVMCIFRL-UHFFFAOYSA-N
MW231.21 g/mol
LogP0.81
Rot. Bonds1

About 3-methyl-5-(2-oxo-1,3-dihydroimidazol-4-yl)-1,3-benzoxazol-2-one

3-methyl-5-(2-oxo-1,3-dihydroimidazol-4-yl)-1,3-benzoxazol-2-one (PubChem CID 116879745) has the molecular formula C11H9N3O3 and a molecular weight of 231.21 g/mol. Its IUPAC name is 3-methyl-5-(2-oxo-1,3-dihydroimidazol-4-yl)-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name3-methyl-5-(2-oxo-1,3-dihydroimidazol-4-yl)-1,3-benzoxazol-2-one
PubChem CID116879745
Molecular FormulaC11H9N3O3
Molecular Weight231.21 g/mol
Exact Mass231.06
IUPAC Name3-methyl-5-(2-oxo-1,3-dihydroimidazol-4-yl)-1,3-benzoxazol-2-one
SMILESCn1c(=O)oc2ccc(-c3c[nH]c(=O)[nH]3)cc21
InChIInChI=1S/C11H9N3O3/c1-14-8-4-6(7-5-12-10(15)13-7)2-3-9(8)17-11(14)16/h2-5H,1H3,(H2,12,13,15)
InChIKeyCUJPNMBVMCIFRL-UHFFFAOYSA-N
XLogP0.81
TPSA83.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.21
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-5-(4-methylphenyl)-1,3-benzoxazol-2-one
CID 134527822
5-(3-chloro-1,2,4-triazin-6-yl)-3-methyl-1,3-benzoxazol-2-one
CID 169260365
3,5-dimethyl-1,3-benzoxazol-2-one
CID 13117589
5-(dimethylamino)-3-methyl-1,3-benzoxazol-2-one
CID 117043635
5-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)furan-2-carbaldehyde
CID 169332554
3,5-dimethyl-1,3-benzoxazol-2-one;methane
CID 160664134
3-methyl-6-(2-oxo-3H-1,3-thiazol-4-yl)-1,3-benzoxazol-2-one
CID 116966116
3-methyl-6-(2-methyl-1H-imidazol-5-yl)-1,3-benzoxazol-2-one
CID 116883887
5-[3-[1-(4-fluorophenyl)ethylamino]-1,2,4-triazin-6-yl]-3-methyl-1,3-benzoxazol-2-one
CID 170311239
5-[2-bromo-5-(methylaminomethyl)-1H-imidazol-4-yl]-3-methyl-1,3-benzoxazol-2-one
CID 84611082
(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methylazanium
CID 143272906
5-[amino(hydroxy)methyl]-3-methyl-1,3-benzoxazol-2-one
CID 116939680

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(2-oxo-1,3-dihydroimidazol-4-yl)-1,3-benzoxazol-2-one?
The IUPAC name of 3-methyl-5-(2-oxo-1,3-dihydroimidazol-4-yl)-1,3-benzoxazol-2-one (CID 116879745) is 3-methyl-5-(2-oxo-1,3-dihydroimidazol-4-yl)-1,3-benzoxazol-2-one.
What is the SMILES notation for 3-methyl-5-(2-oxo-1,3-dihydroimidazol-4-yl)-1,3-benzoxazol-2-one?
The canonical SMILES for 3-methyl-5-(2-oxo-1,3-dihydroimidazol-4-yl)-1,3-benzoxazol-2-one is Cn1c(=O)oc2ccc(-c3c[nH]c(=O)[nH]3)cc21.
What is the InChIKey of 3-methyl-5-(2-oxo-1,3-dihydroimidazol-4-yl)-1,3-benzoxazol-2-one?
The InChIKey is CUJPNMBVMCIFRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O3/c1-14-8-4-6(7-5-12-10(15)13-7)2-3-9(8)17-11(14)16/h2-5H,1H3,(H2,12,13,15).
What are the key properties of 3-methyl-5-(2-oxo-1,3-dihydroimidazol-4-yl)-1,3-benzoxazol-2-one?
3-methyl-5-(2-oxo-1,3-dihydroimidazol-4-yl)-1,3-benzoxazol-2-one has a molecular weight of 231.21 g/mol, XLogP of 0.81, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(2-oxo-1,3-dihydroimidazol-4-yl)-1,3-benzoxazol-2-one is sourced from PubChem (CID 116879745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).