5-(2-oxo-1-propan-2-ylimidazolidin-4-yl)-3H-1,3-benzoxazol-2-one

C13H15N3O3 — CID 116981155

IUPAC5-(2-oxo-1-propan-2-ylimidazolidin-4-yl)-3H-1,3-benzoxazol-2-one
SMILESCC(C)N1CC(c2ccc3oc(=O)[nH]c3c2)NC1=O
InChIInChI=1S/C13H15N3O3/c1-7(2)16-6-10(14-12(16)17)8-3-4-11-9(5-8)15-13(18)19-11/h3-5,7,10H,6H2,1-2H3,(H,14,17)(H,15,18)
InChIKeyMBLDEEGJVSYCIG-UHFFFAOYSA-N
MW261.28 g/mol
LogP1.60
Rot. Bonds2

About 5-(2-oxo-1-propan-2-ylimidazolidin-4-yl)-3H-1,3-benzoxazol-2-one

5-(2-oxo-1-propan-2-ylimidazolidin-4-yl)-3H-1,3-benzoxazol-2-one (PubChem CID 116981155) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is 5-(2-oxo-1-propan-2-ylimidazolidin-4-yl)-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name5-(2-oxo-1-propan-2-ylimidazolidin-4-yl)-3H-1,3-benzoxazol-2-one
PubChem CID116981155
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Name5-(2-oxo-1-propan-2-ylimidazolidin-4-yl)-3H-1,3-benzoxazol-2-one
SMILESCC(C)N1CC(c2ccc3oc(=O)[nH]c3c2)NC1=O
InChIInChI=1S/C13H15N3O3/c1-7(2)16-6-10(14-12(16)17)8-3-4-11-9(5-8)15-13(18)19-11/h3-5,7,10H,6H2,1-2H3,(H,14,17)(H,15,18)
InChIKeyMBLDEEGJVSYCIG-UHFFFAOYSA-N
XLogP1.60
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-oxo-4-(2-oxo-3H-1,3-benzoxazol-5-yl)imidazolidine-1-carbonitrile
CID 116980073
2-[2-oxo-4-(2-oxo-3H-1,3-benzoxazol-5-yl)imidazolidin-1-yl]acetonitrile
CID 116980196
4-(4-methylsulfanylphenyl)-1-propan-2-ylimidazolidin-2-one
CID 116981144
5-morpholin-3-yl-3H-1,3-benzoxazol-2-one
CID 116963142
5-(3,4-dihydro-2H-1,4-benzoxazin-3-yl)-3H-1,3-benzoxazol-2-one
CID 116837252
5-(3-methylpiperazin-2-yl)-3H-1,3-benzoxazol-2-one
CID 116829287
5-[1-(2-aminoethyl)piperidin-4-yl]-3H-1,3-benzoxazol-2-one
CID 116962874
2-(2-oxo-3H-1,3-benzoxazol-5-yl)cyclopropane-1-carbonitrile
CID 116837000
5-(1-cyclopropylpropan-2-ylamino)-3H-1,3-benzoxazol-2-one
CID 113489813
5-piperidin-1-yl-3H-1,3-benzoxazol-2-one
CID 23074043
ethane;5-(2-methylpropyl)-3H-1,3-benzoxazol-2-one
CID 143679953
5-[(1,5-dimethylpyrrolidin-3-yl)amino]-3H-1,3-benzoxazol-2-one
CID 81466348

Frequently Asked Questions

What is the IUPAC name of 5-(2-oxo-1-propan-2-ylimidazolidin-4-yl)-3H-1,3-benzoxazol-2-one?
The IUPAC name of 5-(2-oxo-1-propan-2-ylimidazolidin-4-yl)-3H-1,3-benzoxazol-2-one (CID 116981155) is 5-(2-oxo-1-propan-2-ylimidazolidin-4-yl)-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 5-(2-oxo-1-propan-2-ylimidazolidin-4-yl)-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 5-(2-oxo-1-propan-2-ylimidazolidin-4-yl)-3H-1,3-benzoxazol-2-one is CC(C)N1CC(c2ccc3oc(=O)[nH]c3c2)NC1=O.
What is the InChIKey of 5-(2-oxo-1-propan-2-ylimidazolidin-4-yl)-3H-1,3-benzoxazol-2-one?
The InChIKey is MBLDEEGJVSYCIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-7(2)16-6-10(14-12(16)17)8-3-4-11-9(5-8)15-13(18)19-11/h3-5,7,10H,6H2,1-2H3,(H,14,17)(H,15,18).
What are the key properties of 5-(2-oxo-1-propan-2-ylimidazolidin-4-yl)-3H-1,3-benzoxazol-2-one?
5-(2-oxo-1-propan-2-ylimidazolidin-4-yl)-3H-1,3-benzoxazol-2-one has a molecular weight of 261.28 g/mol, XLogP of 1.60, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-oxo-1-propan-2-ylimidazolidin-4-yl)-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 116981155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).