2-(4,5-diphenyl-2,3-dihydro-1,3-oxazol-2-yl)-8-methylnonan-4-one;ethane

C27H37NO2 — CID 169103904

IUPAC2-(4,5-diphenyl-2,3-dihydro-1,3-oxazol-2-yl)-8-methylnonan-4-one;ethane
SMILESCC.CC(C)CCCC(=O)CC(C)C1NC(c2ccccc2)=C(c2ccccc2)O1
InChIInChI=1S/C25H31NO2.C2H6/c1-18(2)11-10-16-22(27)17-19(3)25-26-23(20-12-6-4-7-13-20)24(28-25)21-14-8-5-9-15-21;1-2/h4-9,12-15,18-19,25-26H,10-11,16-17H2,1-3H3;1-2H3
InChIKeyVAWVVKSWKQSEJR-UHFFFAOYSA-N
MW407.60 g/mol
LogP6.91
Rot. Bonds9

About 2-(4,5-diphenyl-2,3-dihydro-1,3-oxazol-2-yl)-8-methylnonan-4-one;ethane

2-(4,5-diphenyl-2,3-dihydro-1,3-oxazol-2-yl)-8-methylnonan-4-one;ethane (PubChem CID 169103904) has the molecular formula C27H37NO2 and a molecular weight of 407.60 g/mol. Its IUPAC name is 2-(4,5-diphenyl-2,3-dihydro-1,3-oxazol-2-yl)-8-methylnonan-4-one;ethane.

Molecular Properties

Compound Name2-(4,5-diphenyl-2,3-dihydro-1,3-oxazol-2-yl)-8-methylnonan-4-one;ethane
PubChem CID169103904
Molecular FormulaC27H37NO2
Molecular Weight407.60 g/mol
Exact Mass407.28
IUPAC Name2-(4,5-diphenyl-2,3-dihydro-1,3-oxazol-2-yl)-8-methylnonan-4-one;ethane
SMILESCC.CC(C)CCCC(=O)CC(C)C1NC(c2ccccc2)=C(c2ccccc2)O1
InChIInChI=1S/C25H31NO2.C2H6/c1-18(2)11-10-16-22(27)17-19(3)25-26-23(20-12-6-4-7-13-20)24(28-25)21-14-8-5-9-15-21;1-2/h4-9,12-15,18-19,25-26H,10-11,16-17H2,1-3H3;1-2H3
InChIKeyVAWVVKSWKQSEJR-UHFFFAOYSA-N
XLogP6.91
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.60
LogP ≤ 56.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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benzyl (1S,5S)-5-[[(1R)-1-phenylethyl]amino]cyclopent-2-ene-1-carboxylate
CID 12968505
Ethyl 2-(benzylamino)-3-(phenylmethoxymethyl)cyclopentene-1-carboxylate
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CID 59486834
N-(2,4-diphenyl-2,3-dihydro-1,3-oxazol-5-yl)cyclopropanecarboxamide
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CID 71085666
N-(2,4-diphenyl-2,3-dihydro-1,3-oxazol-5-yl)cyclobutanecarboxamide
CID 71085680
N-(2,4-diphenyl-2,3-dihydro-1,3-oxazol-5-yl)-2-propylpentanamide
CID 71085824
N-(2,4-diphenyl-2,3-dihydro-1,3-oxazol-5-yl)-2,2-dimethylpropanamide
CID 71085828
N-(2,4-diphenyl-2,3-dihydro-1,3-oxazol-5-yl)-2-phenylcyclopropane-1-carboxamide
CID 71085829
Methyl 5-[3-[4-(5-methyl-2-phenyl-2,3-dihydro-1,3-oxazol-4-yl)butyl]phenyl]pentanoate
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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-diphenyl-2,3-dihydro-1,3-oxazol-2-yl)-8-methylnonan-4-one;ethane?
The IUPAC name of 2-(4,5-diphenyl-2,3-dihydro-1,3-oxazol-2-yl)-8-methylnonan-4-one;ethane (CID 169103904) is 2-(4,5-diphenyl-2,3-dihydro-1,3-oxazol-2-yl)-8-methylnonan-4-one;ethane.
What is the SMILES notation for 2-(4,5-diphenyl-2,3-dihydro-1,3-oxazol-2-yl)-8-methylnonan-4-one;ethane?
The canonical SMILES for 2-(4,5-diphenyl-2,3-dihydro-1,3-oxazol-2-yl)-8-methylnonan-4-one;ethane is CC.CC(C)CCCC(=O)CC(C)C1NC(c2ccccc2)=C(c2ccccc2)O1.
What is the InChIKey of 2-(4,5-diphenyl-2,3-dihydro-1,3-oxazol-2-yl)-8-methylnonan-4-one;ethane?
The InChIKey is VAWVVKSWKQSEJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31NO2.C2H6/c1-18(2)11-10-16-22(27)17-19(3)25-26-23(20-12-6-4-7-13-20)24(28-25)21-14-8-5-9-15-21;1-2/h4-9,12-15,18-19,25-26H,10-11,16-17H2,1-3H3;1-2H3.
What are the key properties of 2-(4,5-diphenyl-2,3-dihydro-1,3-oxazol-2-yl)-8-methylnonan-4-one;ethane?
2-(4,5-diphenyl-2,3-dihydro-1,3-oxazol-2-yl)-8-methylnonan-4-one;ethane has a molecular weight of 407.60 g/mol, XLogP of 6.91, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-diphenyl-2,3-dihydro-1,3-oxazol-2-yl)-8-methylnonan-4-one;ethane is sourced from PubChem (CID 169103904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).