N-hydroxy-7-[5-(4-hydroxyphenyl)-4-phenyl-1,3-oxazol-2-yl]heptanamide

C22H24N2O4 — CID 11501784

IUPACN-hydroxy-7-[5-(4-hydroxyphenyl)-4-phenyl-1,3-oxazol-2-yl]heptanamide
SMILESO=C(CCCCCCc1nc(-c2ccccc2)c(-c2ccc(O)cc2)o1)NO
InChIInChI=1S/C22H24N2O4/c25-18-14-12-17(13-15-18)22-21(16-8-4-3-5-9-16)23-20(28-22)11-7-2-1-6-10-19(26)24-27/h3-5,8-9,12-15,25,27H,1-2,6-7,10-11H2,(H,24,26)
InChIKeyGIVRQASDEBLTIY-UHFFFAOYSA-N
MW380.44 g/mol
LogP4.71
Rot. Bonds9

About N-hydroxy-7-[5-(4-hydroxyphenyl)-4-phenyl-1,3-oxazol-2-yl]heptanamide

N-hydroxy-7-[5-(4-hydroxyphenyl)-4-phenyl-1,3-oxazol-2-yl]heptanamide (PubChem CID 11501784) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is N-hydroxy-7-[5-(4-hydroxyphenyl)-4-phenyl-1,3-oxazol-2-yl]heptanamide.

Molecular Properties

Compound NameN-hydroxy-7-[5-(4-hydroxyphenyl)-4-phenyl-1,3-oxazol-2-yl]heptanamide
PubChem CID11501784
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC NameN-hydroxy-7-[5-(4-hydroxyphenyl)-4-phenyl-1,3-oxazol-2-yl]heptanamide
SMILESO=C(CCCCCCc1nc(-c2ccccc2)c(-c2ccc(O)cc2)o1)NO
InChIInChI=1S/C22H24N2O4/c25-18-14-12-17(13-15-18)22-21(16-8-4-3-5-9-16)23-20(28-22)11-7-2-1-6-10-19(26)24-27/h3-5,8-9,12-15,25,27H,1-2,6-7,10-11H2,(H,24,26)
InChIKeyGIVRQASDEBLTIY-UHFFFAOYSA-N
XLogP4.71
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 54.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-hydroxy-7-[5-(4-hydroxyphenyl)-4-phenyl-1,3-oxazol-2-yl]heptanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-7-[5-(4-hydroxyphenyl)-4-phenyl-1,3-oxazol-2-yl]heptanamide?
The IUPAC name of N-hydroxy-7-[5-(4-hydroxyphenyl)-4-phenyl-1,3-oxazol-2-yl]heptanamide (CID 11501784) is N-hydroxy-7-[5-(4-hydroxyphenyl)-4-phenyl-1,3-oxazol-2-yl]heptanamide.
What is the SMILES notation for N-hydroxy-7-[5-(4-hydroxyphenyl)-4-phenyl-1,3-oxazol-2-yl]heptanamide?
The canonical SMILES for N-hydroxy-7-[5-(4-hydroxyphenyl)-4-phenyl-1,3-oxazol-2-yl]heptanamide is O=C(CCCCCCc1nc(-c2ccccc2)c(-c2ccc(O)cc2)o1)NO.
What is the InChIKey of N-hydroxy-7-[5-(4-hydroxyphenyl)-4-phenyl-1,3-oxazol-2-yl]heptanamide?
The InChIKey is GIVRQASDEBLTIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4/c25-18-14-12-17(13-15-18)22-21(16-8-4-3-5-9-16)23-20(28-22)11-7-2-1-6-10-19(26)24-27/h3-5,8-9,12-15,25,27H,1-2,6-7,10-11H2,(H,24,26).
What are the key properties of N-hydroxy-7-[5-(4-hydroxyphenyl)-4-phenyl-1,3-oxazol-2-yl]heptanamide?
N-hydroxy-7-[5-(4-hydroxyphenyl)-4-phenyl-1,3-oxazol-2-yl]heptanamide has a molecular weight of 380.44 g/mol, XLogP of 4.71, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-7-[5-(4-hydroxyphenyl)-4-phenyl-1,3-oxazol-2-yl]heptanamide is sourced from PubChem (CID 11501784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).