5-[2-(2-amino-1-hydroxyethyl)-1H-imidazol-5-yl]-3H-1,3-benzoxazol-2-one

C12H12N4O3 — CID 116881708

IUPAC5-[2-(2-amino-1-hydroxyethyl)-1H-imidazol-5-yl]-3H-1,3-benzoxazol-2-one
SMILESNCC(O)c1ncc(-c2ccc3oc(=O)[nH]c3c2)[nH]1
InChIInChI=1S/C12H12N4O3/c13-4-9(17)11-14-5-8(15-11)6-1-2-10-7(3-6)16-12(18)19-10/h1-3,5,9,17H,4,13H2,(H,14,15)(H,16,18)
InChIKeyMMPDFWNRPXTWKZ-UHFFFAOYSA-N
MW260.25 g/mol
LogP0.50
Rot. Bonds3

About 5-[2-(2-amino-1-hydroxyethyl)-1H-imidazol-5-yl]-3H-1,3-benzoxazol-2-one

5-[2-(2-amino-1-hydroxyethyl)-1H-imidazol-5-yl]-3H-1,3-benzoxazol-2-one (PubChem CID 116881708) has the molecular formula C12H12N4O3 and a molecular weight of 260.25 g/mol. Its IUPAC name is 5-[2-(2-amino-1-hydroxyethyl)-1H-imidazol-5-yl]-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name5-[2-(2-amino-1-hydroxyethyl)-1H-imidazol-5-yl]-3H-1,3-benzoxazol-2-one
PubChem CID116881708
Molecular FormulaC12H12N4O3
Molecular Weight260.25 g/mol
Exact Mass260.09
IUPAC Name5-[2-(2-amino-1-hydroxyethyl)-1H-imidazol-5-yl]-3H-1,3-benzoxazol-2-one
SMILESNCC(O)c1ncc(-c2ccc3oc(=O)[nH]c3c2)[nH]1
InChIInChI=1S/C12H12N4O3/c13-4-9(17)11-14-5-8(15-11)6-1-2-10-7(3-6)16-12(18)19-10/h1-3,5,9,17H,4,13H2,(H,14,15)(H,16,18)
InChIKeyMMPDFWNRPXTWKZ-UHFFFAOYSA-N
XLogP0.50
TPSA120.93 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 50.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

5-[2-(chloromethyl)-1H-imidazol-5-yl]-3H-1,3-benzoxazol-2-one
CID 116878109
2-[5-(2-oxo-3H-1,3-benzoxazol-5-yl)-1H-imidazol-2-yl]butanenitrile
CID 116883173
5-[2-(2-sulfanylethyl)-1H-imidazol-5-yl]-3H-1,3-benzoxazol-2-one
CID 116879346
2-amino-1-[5-(3,4-dimethylphenyl)-1H-imidazol-2-yl]ethanol
CID 116881641
2-amino-1-[5-(2-methyl-3H-benzimidazol-5-yl)-1H-imidazol-2-yl]ethanol
CID 116881704
2-amino-1-[5-(3-fluorophenyl)-1H-imidazol-2-yl]ethanol
CID 116881716
2-amino-1-[5-(2,3-dihydro-1-benzofuran-5-yl)-1H-imidazol-2-yl]ethanol
CID 116881709
5-pyridin-4-yl-3H-1,3-benzoxazol-2-one
CID 12851329
5-[2-amino-1-(1H-imidazol-2-yl)ethyl]-3H-1,3-benzoxazol-2-one
CID 116834888
5-[amino-(5-bromo-1H-imidazol-2-yl)methyl]-3H-1,3-benzoxazol-2-one
CID 116835342
5-[2-(2-oxopropyl)pyrimidin-4-yl]-3H-1,3-benzoxazol-2-one
CID 116901601
5-(1,3-diamino-2-methylpropyl)-3H-1,3-benzoxazol-2-one
CID 116933145

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-amino-1-hydroxyethyl)-1H-imidazol-5-yl]-3H-1,3-benzoxazol-2-one?
The IUPAC name of 5-[2-(2-amino-1-hydroxyethyl)-1H-imidazol-5-yl]-3H-1,3-benzoxazol-2-one (CID 116881708) is 5-[2-(2-amino-1-hydroxyethyl)-1H-imidazol-5-yl]-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 5-[2-(2-amino-1-hydroxyethyl)-1H-imidazol-5-yl]-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 5-[2-(2-amino-1-hydroxyethyl)-1H-imidazol-5-yl]-3H-1,3-benzoxazol-2-one is NCC(O)c1ncc(-c2ccc3oc(=O)[nH]c3c2)[nH]1.
What is the InChIKey of 5-[2-(2-amino-1-hydroxyethyl)-1H-imidazol-5-yl]-3H-1,3-benzoxazol-2-one?
The InChIKey is MMPDFWNRPXTWKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O3/c13-4-9(17)11-14-5-8(15-11)6-1-2-10-7(3-6)16-12(18)19-10/h1-3,5,9,17H,4,13H2,(H,14,15)(H,16,18).
What are the key properties of 5-[2-(2-amino-1-hydroxyethyl)-1H-imidazol-5-yl]-3H-1,3-benzoxazol-2-one?
5-[2-(2-amino-1-hydroxyethyl)-1H-imidazol-5-yl]-3H-1,3-benzoxazol-2-one has a molecular weight of 260.25 g/mol, XLogP of 0.50, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-amino-1-hydroxyethyl)-1H-imidazol-5-yl]-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 116881708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).