N,6-dihydroxy-6-[4-(4-hydroxy-1,3-benzoxazol-2-yl)phenyl]hexanamide

C19H20N2O5 — CID 23503015

IUPACN,6-dihydroxy-6-[4-(4-hydroxy-1,3-benzoxazol-2-yl)phenyl]hexanamide
SMILESO=C(CCCCC(O)c1ccc(-c2nc3c(O)cccc3o2)cc1)NO
InChIInChI=1S/C19H20N2O5/c22-14(4-1-2-7-17(24)21-25)12-8-10-13(11-9-12)19-20-18-15(23)5-3-6-16(18)26-19/h3,5-6,8-11,14,22-23,25H,1-2,4,7H2,(H,21,24)
InChIKeyJZRDVNMMBMTTOY-UHFFFAOYSA-N
MW356.38 g/mol
LogP3.30
Rot. Bonds7

About N,6-dihydroxy-6-[4-(4-hydroxy-1,3-benzoxazol-2-yl)phenyl]hexanamide

N,6-dihydroxy-6-[4-(4-hydroxy-1,3-benzoxazol-2-yl)phenyl]hexanamide (PubChem CID 23503015) has the molecular formula C19H20N2O5 and a molecular weight of 356.38 g/mol. Its IUPAC name is N,6-dihydroxy-6-[4-(4-hydroxy-1,3-benzoxazol-2-yl)phenyl]hexanamide.

Molecular Properties

Compound NameN,6-dihydroxy-6-[4-(4-hydroxy-1,3-benzoxazol-2-yl)phenyl]hexanamide
PubChem CID23503015
Molecular FormulaC19H20N2O5
Molecular Weight356.38 g/mol
Exact Mass356.14
IUPAC NameN,6-dihydroxy-6-[4-(4-hydroxy-1,3-benzoxazol-2-yl)phenyl]hexanamide
SMILESO=C(CCCCC(O)c1ccc(-c2nc3c(O)cccc3o2)cc1)NO
InChIInChI=1S/C19H20N2O5/c22-14(4-1-2-7-17(24)21-25)12-8-10-13(11-9-12)19-20-18-15(23)5-3-6-16(18)26-19/h3,5-6,8-11,14,22-23,25H,1-2,4,7H2,(H,21,24)
InChIKeyJZRDVNMMBMTTOY-UHFFFAOYSA-N
XLogP3.30
TPSA115.82 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 53.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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'}

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Frequently Asked Questions

What is the IUPAC name of N,6-dihydroxy-6-[4-(4-hydroxy-1,3-benzoxazol-2-yl)phenyl]hexanamide?
The IUPAC name of N,6-dihydroxy-6-[4-(4-hydroxy-1,3-benzoxazol-2-yl)phenyl]hexanamide (CID 23503015) is N,6-dihydroxy-6-[4-(4-hydroxy-1,3-benzoxazol-2-yl)phenyl]hexanamide.
What is the SMILES notation for N,6-dihydroxy-6-[4-(4-hydroxy-1,3-benzoxazol-2-yl)phenyl]hexanamide?
The canonical SMILES for N,6-dihydroxy-6-[4-(4-hydroxy-1,3-benzoxazol-2-yl)phenyl]hexanamide is O=C(CCCCC(O)c1ccc(-c2nc3c(O)cccc3o2)cc1)NO.
What is the InChIKey of N,6-dihydroxy-6-[4-(4-hydroxy-1,3-benzoxazol-2-yl)phenyl]hexanamide?
The InChIKey is JZRDVNMMBMTTOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O5/c22-14(4-1-2-7-17(24)21-25)12-8-10-13(11-9-12)19-20-18-15(23)5-3-6-16(18)26-19/h3,5-6,8-11,14,22-23,25H,1-2,4,7H2,(H,21,24).
What are the key properties of N,6-dihydroxy-6-[4-(4-hydroxy-1,3-benzoxazol-2-yl)phenyl]hexanamide?
N,6-dihydroxy-6-[4-(4-hydroxy-1,3-benzoxazol-2-yl)phenyl]hexanamide has a molecular weight of 356.38 g/mol, XLogP of 3.30, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-dihydroxy-6-[4-(4-hydroxy-1,3-benzoxazol-2-yl)phenyl]hexanamide is sourced from PubChem (CID 23503015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).