1-[5-[2-(methylideneamino)phenyl]-1,3-oxazol-2-yl]-7-phenylheptan-1-one

C23H24N2O2 — CID 118402576

IUPAC1-[5-[2-(methylideneamino)phenyl]-1,3-oxazol-2-yl]-7-phenylheptan-1-one
SMILESC=Nc1ccccc1-c1cnc(C(=O)CCCCCCc2ccccc2)o1
InChIInChI=1S/C23H24N2O2/c1-24-20-15-10-9-14-19(20)22-17-25-23(27-22)21(26)16-8-3-2-5-11-18-12-6-4-7-13-18/h4,6-7,9-10,12-15,17H,1-3,5,8,11,16H2
InChIKeyVRUABJOZKAMSCF-UHFFFAOYSA-N
MW360.46 g/mol
LogP6.05
Rot. Bonds10

About 1-[5-[2-(methylideneamino)phenyl]-1,3-oxazol-2-yl]-7-phenylheptan-1-one

1-[5-[2-(methylideneamino)phenyl]-1,3-oxazol-2-yl]-7-phenylheptan-1-one (PubChem CID 118402576) has the molecular formula C23H24N2O2 and a molecular weight of 360.46 g/mol. Its IUPAC name is 1-[5-[2-(methylideneamino)phenyl]-1,3-oxazol-2-yl]-7-phenylheptan-1-one.

Molecular Properties

Compound Name1-[5-[2-(methylideneamino)phenyl]-1,3-oxazol-2-yl]-7-phenylheptan-1-one
PubChem CID118402576
Molecular FormulaC23H24N2O2
Molecular Weight360.46 g/mol
Exact Mass360.18
IUPAC Name1-[5-[2-(methylideneamino)phenyl]-1,3-oxazol-2-yl]-7-phenylheptan-1-one
SMILESC=Nc1ccccc1-c1cnc(C(=O)CCCCCCc2ccccc2)o1
InChIInChI=1S/C23H24N2O2/c1-24-20-15-10-9-14-19(20)22-17-25-23(27-22)21(26)16-8-3-2-5-11-18-12-6-4-7-13-18/h4,6-7,9-10,12-15,17H,1-3,5,8,11,16H2
InChIKeyVRUABJOZKAMSCF-UHFFFAOYSA-N
XLogP6.05
TPSA55.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.46
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

7-phenyl-1-(5-phenyl-1,3-oxazol-2-yl)heptan-1-one
CID 11279040
1-[5-(3-isocyanophenyl)-1,3-oxazol-2-yl]-7-phenylheptan-1-one
CID 58956226
(E)-N-carbamoyl-3-[2-(7-phenylheptanoyl)-1,3-oxazol-5-yl]prop-2-enamide
CID 71047653
2-methylidene-12-phenyldodecanoic acid
CID 54253232
7-(2-methylphenyl)-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)heptan-1-one
CID 16735381
15-phenylpentadecanoic acid
CID 2737151
N,N-dimethyl-2-(7-phenylheptanoyl)-1,3-oxazole-4-carboxamide
CID 44554786
1-(5-pyridin-2-yl-1,3-oxazol-2-yl)nonan-1-one
CID 11426192
1-(5-phenyl-1,3-oxazol-2-yl)butan-1-one
CID 10943870
7-phenyl-1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)heptan-1-one
CID 24951001
1-(4-isocyano-1,3-oxazol-2-yl)-7-phenylheptan-1-one
CID 58369509
7-phenyl-1-[4-(trifluoromethyl)-1,3-oxazol-2-yl]heptan-1-one
CID 44554787

Frequently Asked Questions

What is the IUPAC name of 1-[5-[2-(methylideneamino)phenyl]-1,3-oxazol-2-yl]-7-phenylheptan-1-one?
The IUPAC name of 1-[5-[2-(methylideneamino)phenyl]-1,3-oxazol-2-yl]-7-phenylheptan-1-one (CID 118402576) is 1-[5-[2-(methylideneamino)phenyl]-1,3-oxazol-2-yl]-7-phenylheptan-1-one.
What is the SMILES notation for 1-[5-[2-(methylideneamino)phenyl]-1,3-oxazol-2-yl]-7-phenylheptan-1-one?
The canonical SMILES for 1-[5-[2-(methylideneamino)phenyl]-1,3-oxazol-2-yl]-7-phenylheptan-1-one is C=Nc1ccccc1-c1cnc(C(=O)CCCCCCc2ccccc2)o1.
What is the InChIKey of 1-[5-[2-(methylideneamino)phenyl]-1,3-oxazol-2-yl]-7-phenylheptan-1-one?
The InChIKey is VRUABJOZKAMSCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O2/c1-24-20-15-10-9-14-19(20)22-17-25-23(27-22)21(26)16-8-3-2-5-11-18-12-6-4-7-13-18/h4,6-7,9-10,12-15,17H,1-3,5,8,11,16H2.
What are the key properties of 1-[5-[2-(methylideneamino)phenyl]-1,3-oxazol-2-yl]-7-phenylheptan-1-one?
1-[5-[2-(methylideneamino)phenyl]-1,3-oxazol-2-yl]-7-phenylheptan-1-one has a molecular weight of 360.46 g/mol, XLogP of 6.05, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[2-(methylideneamino)phenyl]-1,3-oxazol-2-yl]-7-phenylheptan-1-one is sourced from PubChem (CID 118402576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).