N-[2-hydroxy-3-(4-nonyl-1,2-oxazol-3-yl)phenyl]formamide

C19H26N2O3 — CID 136623290

IUPACN-[2-hydroxy-3-(4-nonyl-1,2-oxazol-3-yl)phenyl]formamide
SMILESCCCCCCCCCc1conc1-c1cccc(NC=O)c1O
InChIInChI=1S/C19H26N2O3/c1-2-3-4-5-6-7-8-10-15-13-24-21-18(15)16-11-9-12-17(19(16)23)20-14-22/h9,11-14,23H,2-8,10H2,1H3,(H,20,22)
InChIKeyIUQCAWQZTDYDJF-UHFFFAOYSA-N
MW330.43 g/mol
LogP4.91
Rot. Bonds11

About N-[2-hydroxy-3-(4-nonyl-1,2-oxazol-3-yl)phenyl]formamide

N-[2-hydroxy-3-(4-nonyl-1,2-oxazol-3-yl)phenyl]formamide (PubChem CID 136623290) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is N-[2-hydroxy-3-(4-nonyl-1,2-oxazol-3-yl)phenyl]formamide.

Molecular Properties

Compound NameN-[2-hydroxy-3-(4-nonyl-1,2-oxazol-3-yl)phenyl]formamide
PubChem CID136623290
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC NameN-[2-hydroxy-3-(4-nonyl-1,2-oxazol-3-yl)phenyl]formamide
SMILESCCCCCCCCCc1conc1-c1cccc(NC=O)c1O
InChIInChI=1S/C19H26N2O3/c1-2-3-4-5-6-7-8-10-15-13-24-21-18(15)16-11-9-12-17(19(16)23)20-14-22/h9,11-14,23H,2-8,10H2,1H3,(H,20,22)
InChIKeyIUQCAWQZTDYDJF-UHFFFAOYSA-N
XLogP4.91
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-(2-fluoro-3-hexylphenyl)formamide;2-methylpropanal;2-methylpropane
CID 170951670
4-butyl-3-phenyl-1,2-oxazole
CID 20616768
4-decyl-1,2-oxazole-3-carboxylic acid
CID 151748779
CID 173140007
CID 173140007
2-hexyl-6-hydroxybenzaldehyde
CID 19389412
3-heptyl-N-[2-[(3-heptyl-2-hydroxybenzoyl)amino]phenyl]-2-hydroxybenzamide
CID 101305922
2-nonylphenol;oxaldehyde
CID 18943315
formic acid;2-hexylphenol
CID 174867354
N-[2-fluoro-3-(6-oxooctyl)phenyl]formamide
CID 176933155
2-heptadecyl-6-[(3-heptadecyl-2-hydroxyphenyl)methyl]phenol
CID 101275914
2-dodecyl-6-[(3-dodecyl-2-hydroxyphenyl)methyl]phenol
CID 12617723
2-(2-hydroxyphenyl)-6-pentylphenol
CID 174858636

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-3-(4-nonyl-1,2-oxazol-3-yl)phenyl]formamide?
The IUPAC name of N-[2-hydroxy-3-(4-nonyl-1,2-oxazol-3-yl)phenyl]formamide (CID 136623290) is N-[2-hydroxy-3-(4-nonyl-1,2-oxazol-3-yl)phenyl]formamide.
What is the SMILES notation for N-[2-hydroxy-3-(4-nonyl-1,2-oxazol-3-yl)phenyl]formamide?
The canonical SMILES for N-[2-hydroxy-3-(4-nonyl-1,2-oxazol-3-yl)phenyl]formamide is CCCCCCCCCc1conc1-c1cccc(NC=O)c1O.
What is the InChIKey of N-[2-hydroxy-3-(4-nonyl-1,2-oxazol-3-yl)phenyl]formamide?
The InChIKey is IUQCAWQZTDYDJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-2-3-4-5-6-7-8-10-15-13-24-21-18(15)16-11-9-12-17(19(16)23)20-14-22/h9,11-14,23H,2-8,10H2,1H3,(H,20,22).
What are the key properties of N-[2-hydroxy-3-(4-nonyl-1,2-oxazol-3-yl)phenyl]formamide?
N-[2-hydroxy-3-(4-nonyl-1,2-oxazol-3-yl)phenyl]formamide has a molecular weight of 330.43 g/mol, XLogP of 4.91, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-3-(4-nonyl-1,2-oxazol-3-yl)phenyl]formamide is sourced from PubChem (CID 136623290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).