4-[4-(1,3-benzoxazol-2-yl)phenoxy]-N-hydroxybutanamide

C17H16N2O4 — CID 24772014

IUPAC4-[4-(1,3-benzoxazol-2-yl)phenoxy]-N-hydroxybutanamide
SMILESO=C(CCCOc1ccc(-c2nc3ccccc3o2)cc1)NO
InChIInChI=1S/C17H16N2O4/c20-16(19-21)6-3-11-22-13-9-7-12(8-10-13)17-18-14-4-1-2-5-15(14)23-17/h1-2,4-5,7-10,21H,3,6,11H2,(H,19,20)
InChIKeyYHGJSFMAPSILHM-UHFFFAOYSA-N
MW312.33 g/mol
LogP3.16
Rot. Bonds6

About 4-[4-(1,3-benzoxazol-2-yl)phenoxy]-N-hydroxybutanamide

4-[4-(1,3-benzoxazol-2-yl)phenoxy]-N-hydroxybutanamide (PubChem CID 24772014) has the molecular formula C17H16N2O4 and a molecular weight of 312.33 g/mol. Its IUPAC name is 4-[4-(1,3-benzoxazol-2-yl)phenoxy]-N-hydroxybutanamide.

Molecular Properties

Compound Name4-[4-(1,3-benzoxazol-2-yl)phenoxy]-N-hydroxybutanamide
PubChem CID24772014
Molecular FormulaC17H16N2O4
Molecular Weight312.33 g/mol
Exact Mass312.11
IUPAC Name4-[4-(1,3-benzoxazol-2-yl)phenoxy]-N-hydroxybutanamide
SMILESO=C(CCCOc1ccc(-c2nc3ccccc3o2)cc1)NO
InChIInChI=1S/C17H16N2O4/c20-16(19-21)6-3-11-22-13-9-7-12(8-10-13)17-18-14-4-1-2-5-15(14)23-17/h1-2,4-5,7-10,21H,3,6,11H2,(H,19,20)
InChIKeyYHGJSFMAPSILHM-UHFFFAOYSA-N
XLogP3.16
TPSA84.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 53.16
H-Bond Donors ≤ 52
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'}

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Related Compounds

5-[4-(1,3-benzoxazol-2-yl)anilino]-5-oxopentanoic acid
CID 763458
4-[[3-(1,3-benzoxazol-2-yl)quinoxalin-2-yl]amino]-N-hydroxybutanamide
CID 171343292
2-[4-[(4-methylphenyl)methoxy]phenyl]-1,3-benzoxazole
CID 91678637
2-[4-[(4-ethenylphenyl)methoxy]phenyl]-1,3-benzoxazole
CID 58943106
5-[[4-(1,3-benzoxazol-2-yl)phenoxy]methyl]-3H-1,3,4-oxadiazole-2-thione
CID 3033780
methyl 4-[4-(1,3-benzoxazol-2-ylamino)phenoxy]butanoate
CID 133302692
N-[4-(1,3-benzoxazol-2-yl)phenyl]acetamide
CID 762785
carbonyl difluoride;2-phenyl-1,3-benzoxazole
CID 158063385
2,2-dimethylpropanoyloxymethyl 6-[6-(1,3-benzoxazol-2-yl)naphthalen-2-yl]oxyhexanoate
CID 11755280
[4-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenoxy]phenyl]methanol
CID 58057288
N-[5-(1,3-benzoxazol-2-yl)-2-chlorophenyl]-2-(4-methoxyphenoxy)acetamide
CID 1160093
N-[5-(1,3-benzoxazol-2-yl)-3-pyridinyl]-2-(4-bromophenoxy)acetamide
CID 25239404

Frequently Asked Questions

What is the IUPAC name of 4-[4-(1,3-benzoxazol-2-yl)phenoxy]-N-hydroxybutanamide?
The IUPAC name of 4-[4-(1,3-benzoxazol-2-yl)phenoxy]-N-hydroxybutanamide (CID 24772014) is 4-[4-(1,3-benzoxazol-2-yl)phenoxy]-N-hydroxybutanamide.
What is the SMILES notation for 4-[4-(1,3-benzoxazol-2-yl)phenoxy]-N-hydroxybutanamide?
The canonical SMILES for 4-[4-(1,3-benzoxazol-2-yl)phenoxy]-N-hydroxybutanamide is O=C(CCCOc1ccc(-c2nc3ccccc3o2)cc1)NO.
What is the InChIKey of 4-[4-(1,3-benzoxazol-2-yl)phenoxy]-N-hydroxybutanamide?
The InChIKey is YHGJSFMAPSILHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4/c20-16(19-21)6-3-11-22-13-9-7-12(8-10-13)17-18-14-4-1-2-5-15(14)23-17/h1-2,4-5,7-10,21H,3,6,11H2,(H,19,20).
What are the key properties of 4-[4-(1,3-benzoxazol-2-yl)phenoxy]-N-hydroxybutanamide?
4-[4-(1,3-benzoxazol-2-yl)phenoxy]-N-hydroxybutanamide has a molecular weight of 312.33 g/mol, XLogP of 3.16, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1,3-benzoxazol-2-yl)phenoxy]-N-hydroxybutanamide is sourced from PubChem (CID 24772014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).