2,4-dihydroxy-N-[(5-methyl-1,3-oxazol-4-yl)methyl]benzamide

C12H12N2O4 — CID 75518814

IUPAC2,4-dihydroxy-N-[(5-methyl-1,3-oxazol-4-yl)methyl]benzamide
SMILESCc1ocnc1CNC(=O)c1ccc(O)cc1O
InChIInChI=1S/C12H12N2O4/c1-7-10(14-6-18-7)5-13-12(17)9-3-2-8(15)4-11(9)16/h2-4,6,15-16H,5H2,1H3,(H,13,17)
InChIKeyCXILNKFHXGAAAY-UHFFFAOYSA-N
MW248.24 g/mol
LogP1.32
Rot. Bonds3

About 2,4-dihydroxy-N-[(5-methyl-1,3-oxazol-4-yl)methyl]benzamide

2,4-dihydroxy-N-[(5-methyl-1,3-oxazol-4-yl)methyl]benzamide (PubChem CID 75518814) has the molecular formula C12H12N2O4 and a molecular weight of 248.24 g/mol. Its IUPAC name is 2,4-dihydroxy-N-[(5-methyl-1,3-oxazol-4-yl)methyl]benzamide.

Molecular Properties

Compound Name2,4-dihydroxy-N-[(5-methyl-1,3-oxazol-4-yl)methyl]benzamide
PubChem CID75518814
Molecular FormulaC12H12N2O4
Molecular Weight248.24 g/mol
Exact Mass248.08
IUPAC Name2,4-dihydroxy-N-[(5-methyl-1,3-oxazol-4-yl)methyl]benzamide
SMILESCc1ocnc1CNC(=O)c1ccc(O)cc1O
InChIInChI=1S/C12H12N2O4/c1-7-10(14-6-18-7)5-13-12(17)9-3-2-8(15)4-11(9)16/h2-4,6,15-16H,5H2,1H3,(H,13,17)
InChIKeyCXILNKFHXGAAAY-UHFFFAOYSA-N
XLogP1.32
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,4-dihydroxy-N-[(5-methyl-1,3-oxazol-4-yl)methyl]benzamide?
The IUPAC name of 2,4-dihydroxy-N-[(5-methyl-1,3-oxazol-4-yl)methyl]benzamide (CID 75518814) is 2,4-dihydroxy-N-[(5-methyl-1,3-oxazol-4-yl)methyl]benzamide.
What is the SMILES notation for 2,4-dihydroxy-N-[(5-methyl-1,3-oxazol-4-yl)methyl]benzamide?
The canonical SMILES for 2,4-dihydroxy-N-[(5-methyl-1,3-oxazol-4-yl)methyl]benzamide is Cc1ocnc1CNC(=O)c1ccc(O)cc1O.
What is the InChIKey of 2,4-dihydroxy-N-[(5-methyl-1,3-oxazol-4-yl)methyl]benzamide?
The InChIKey is CXILNKFHXGAAAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O4/c1-7-10(14-6-18-7)5-13-12(17)9-3-2-8(15)4-11(9)16/h2-4,6,15-16H,5H2,1H3,(H,13,17).
What are the key properties of 2,4-dihydroxy-N-[(5-methyl-1,3-oxazol-4-yl)methyl]benzamide?
2,4-dihydroxy-N-[(5-methyl-1,3-oxazol-4-yl)methyl]benzamide has a molecular weight of 248.24 g/mol, XLogP of 1.32, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dihydroxy-N-[(5-methyl-1,3-oxazol-4-yl)methyl]benzamide is sourced from PubChem (CID 75518814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).