2,3-dihydroxy-3-[4-hydroxy-3-(1,2-oxazol-5-yl)phenyl]propanamide

C12H12N2O5 — CID 171868994

IUPAC2,3-dihydroxy-3-[4-hydroxy-3-(1,2-oxazol-5-yl)phenyl]propanamide
SMILESNC(=O)C(O)C(O)c1ccc(O)c(-c2ccno2)c1
InChIInChI=1S/C12H12N2O5/c13-12(18)11(17)10(16)6-1-2-8(15)7(5-6)9-3-4-14-19-9/h1-5,10-11,15-17H,(H2,13,18)
InChIKeyKPBGJEFMZRBMKW-UHFFFAOYSA-N
MW264.24 g/mol
LogP-0.07
Rot. Bonds4

About 2,3-dihydroxy-3-[4-hydroxy-3-(1,2-oxazol-5-yl)phenyl]propanamide

2,3-dihydroxy-3-[4-hydroxy-3-(1,2-oxazol-5-yl)phenyl]propanamide (PubChem CID 171868994) has the molecular formula C12H12N2O5 and a molecular weight of 264.24 g/mol. Its IUPAC name is 2,3-dihydroxy-3-[4-hydroxy-3-(1,2-oxazol-5-yl)phenyl]propanamide.

Molecular Properties

Compound Name2,3-dihydroxy-3-[4-hydroxy-3-(1,2-oxazol-5-yl)phenyl]propanamide
PubChem CID171868994
Molecular FormulaC12H12N2O5
Molecular Weight264.24 g/mol
Exact Mass264.07
IUPAC Name2,3-dihydroxy-3-[4-hydroxy-3-(1,2-oxazol-5-yl)phenyl]propanamide
SMILESNC(=O)C(O)C(O)c1ccc(O)c(-c2ccno2)c1
InChIInChI=1S/C12H12N2O5/c13-12(18)11(17)10(16)6-1-2-8(15)7(5-6)9-3-4-14-19-9/h1-5,10-11,15-17H,(H2,13,18)
InChIKeyKPBGJEFMZRBMKW-UHFFFAOYSA-N
XLogP-0.07
TPSA129.81 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.24
LogP ≤ 5-0.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

3-azido-1-[4-hydroxy-3-(1,2-oxazol-5-yl)phenyl]propane-1,2-diol
CID 170826852
9H-fluoren-9-ylmethyl N-[3,4-dihydroxy-4-[4-hydroxy-3-(1,2-oxazol-5-yl)phenyl]butyl]carbamate
CID 171887464
3-(3-amino-4-fluorophenyl)-2,3-dihydroxypropanamide
CID 171867878
3-(4-amino-3-bromophenyl)-2,3-dihydroxypropanamide
CID 171869258
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydroxypropanamide
CID 171868354
2-[3-[5-(1-amino-1-oxopropan-2-yl)-2-hydroxyphenyl]-4-hydroxyphenyl]propanamide
CID 139557591
3-(3-amino-1,2-dihydroxy-3-oxopropyl)-4-hydroxybenzoic acid
CID 171868523
3-(4-fluoro-2-hydroxyphenyl)-2,3-dihydroxypropanamide
CID 171867767
3-(5-chloro-2-hydroxyphenyl)-2,3-dihydroxypropanamide
CID 171867764
2,3-dihydroxy-3-(4-methylphenyl)propanamide
CID 171867589
3-(3-amino-1H-indazol-6-yl)-2,3-dihydroxypropanamide
CID 171868406
5-(3-amino-1,2-dihydroxy-3-oxopropyl)-1-benzofuran-2-carboxylic acid
CID 171868975

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxy-3-[4-hydroxy-3-(1,2-oxazol-5-yl)phenyl]propanamide?
The IUPAC name of 2,3-dihydroxy-3-[4-hydroxy-3-(1,2-oxazol-5-yl)phenyl]propanamide (CID 171868994) is 2,3-dihydroxy-3-[4-hydroxy-3-(1,2-oxazol-5-yl)phenyl]propanamide.
What is the SMILES notation for 2,3-dihydroxy-3-[4-hydroxy-3-(1,2-oxazol-5-yl)phenyl]propanamide?
The canonical SMILES for 2,3-dihydroxy-3-[4-hydroxy-3-(1,2-oxazol-5-yl)phenyl]propanamide is NC(=O)C(O)C(O)c1ccc(O)c(-c2ccno2)c1.
What is the InChIKey of 2,3-dihydroxy-3-[4-hydroxy-3-(1,2-oxazol-5-yl)phenyl]propanamide?
The InChIKey is KPBGJEFMZRBMKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O5/c13-12(18)11(17)10(16)6-1-2-8(15)7(5-6)9-3-4-14-19-9/h1-5,10-11,15-17H,(H2,13,18).
What are the key properties of 2,3-dihydroxy-3-[4-hydroxy-3-(1,2-oxazol-5-yl)phenyl]propanamide?
2,3-dihydroxy-3-[4-hydroxy-3-(1,2-oxazol-5-yl)phenyl]propanamide has a molecular weight of 264.24 g/mol, XLogP of -0.07, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxy-3-[4-hydroxy-3-(1,2-oxazol-5-yl)phenyl]propanamide is sourced from PubChem (CID 171868994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).