2-[6-[2-(7-phenylheptanoyl)-1,3-oxazol-5-yl]-3-pyridinyl]acetonitrile

C23H23N3O2 — CID 71665478

IUPAC2-[6-[2-(7-phenylheptanoyl)-1,3-oxazol-5-yl]-3-pyridinyl]acetonitrile
SMILESN#CCc1ccc(-c2cnc(C(=O)CCCCCCc3ccccc3)o2)nc1
InChIInChI=1S/C23H23N3O2/c24-15-14-19-12-13-20(25-16-19)22-17-26-23(28-22)21(27)11-7-2-1-4-8-18-9-5-3-6-10-18/h3,5-6,9-10,12-13,16-17H,1-2,4,7-8,11,14H2
InChIKeyMDHSRBKWWXIDHJ-UHFFFAOYSA-N
MW373.46 g/mol
LogP5.18
Rot. Bonds10

About 2-[6-[2-(7-phenylheptanoyl)-1,3-oxazol-5-yl]-3-pyridinyl]acetonitrile

2-[6-[2-(7-phenylheptanoyl)-1,3-oxazol-5-yl]-3-pyridinyl]acetonitrile (PubChem CID 71665478) has the molecular formula C23H23N3O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is 2-[6-[2-(7-phenylheptanoyl)-1,3-oxazol-5-yl]-3-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[6-[2-(7-phenylheptanoyl)-1,3-oxazol-5-yl]-3-pyridinyl]acetonitrile
PubChem CID71665478
Molecular FormulaC23H23N3O2
Molecular Weight373.46 g/mol
Exact Mass373.18
IUPAC Name2-[6-[2-(7-phenylheptanoyl)-1,3-oxazol-5-yl]-3-pyridinyl]acetonitrile
SMILESN#CCc1ccc(-c2cnc(C(=O)CCCCCCc3ccccc3)o2)nc1
InChIInChI=1S/C23H23N3O2/c24-15-14-19-12-13-20(25-16-19)22-17-26-23(28-22)21(27)11-7-2-1-4-8-18-9-5-3-6-10-18/h3,5-6,9-10,12-13,16-17H,1-2,4,7-8,11,14H2
InChIKeyMDHSRBKWWXIDHJ-UHFFFAOYSA-N
XLogP5.18
TPSA79.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.46
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

OL-135
CID 10427006
1,4-Bis(5-phenyl-2-oxazolyl)benzene
CID 15732
2,5-Diphenyloxazole
CID 7105
7-Phenyl-1-[5-(Pyridin-2-Yl)-1,3,4-Oxadiazol-2-Yl]heptan-1-One
CID 11484453
1-[5-(Pyridin-2-yl)-1,3-oxazol-2-yl]-7-[3-(trifluoromethyl)phenyl]heptan-1-one
CID 16735158
1-Oxo-1-[5-(2-pyridyl)oxazol-2-yl]-3-(4-(benzyloxy)phenyl)propane
CID 16735159
7-(2,3-Dichlorophenyl)-1-[5-(pyridin-2-yl)-1,3-oxazol-2-yl]heptan-1-one
CID 16735549
Methyl 2-{7-oxo-7-[5-(pyridin-2-yl)-1,3-oxazol-2-yl]heptyl}benzoate
CID 16736221
3-(4-(Phenoxymethyl)phenyl)-1-(5-(pyridin-2-yl)oxazol-2-yl)propan-1-one
CID 16736226
1-Oxo-1-[5-(2-pyridyl)oxazol-2-yl]-7-(3-chlorophenyl)heptane
CID 16736447
3-(4-Phenylphenyl)-1-[5-(pyridin-2-yl)-1,3-oxazol-2-yl]propan-1-one
CID 16737951
Pyridine, 4-(5-phenyl-2-oxazolyl)-
CID 156519

Frequently Asked Questions

What is the IUPAC name of 2-[6-[2-(7-phenylheptanoyl)-1,3-oxazol-5-yl]-3-pyridinyl]acetonitrile?
The IUPAC name of 2-[6-[2-(7-phenylheptanoyl)-1,3-oxazol-5-yl]-3-pyridinyl]acetonitrile (CID 71665478) is 2-[6-[2-(7-phenylheptanoyl)-1,3-oxazol-5-yl]-3-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[6-[2-(7-phenylheptanoyl)-1,3-oxazol-5-yl]-3-pyridinyl]acetonitrile?
The canonical SMILES for 2-[6-[2-(7-phenylheptanoyl)-1,3-oxazol-5-yl]-3-pyridinyl]acetonitrile is N#CCc1ccc(-c2cnc(C(=O)CCCCCCc3ccccc3)o2)nc1.
What is the InChIKey of 2-[6-[2-(7-phenylheptanoyl)-1,3-oxazol-5-yl]-3-pyridinyl]acetonitrile?
The InChIKey is MDHSRBKWWXIDHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2/c24-15-14-19-12-13-20(25-16-19)22-17-26-23(28-22)21(27)11-7-2-1-4-8-18-9-5-3-6-10-18/h3,5-6,9-10,12-13,16-17H,1-2,4,7-8,11,14H2.
What are the key properties of 2-[6-[2-(7-phenylheptanoyl)-1,3-oxazol-5-yl]-3-pyridinyl]acetonitrile?
2-[6-[2-(7-phenylheptanoyl)-1,3-oxazol-5-yl]-3-pyridinyl]acetonitrile has a molecular weight of 373.46 g/mol, XLogP of 5.18, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[2-(7-phenylheptanoyl)-1,3-oxazol-5-yl]-3-pyridinyl]acetonitrile is sourced from PubChem (CID 71665478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).