4-(2-methylpropoxy)-N-(3-phenyl-1,2-oxazol-5-yl)benzamide;trideca-1,2,3,4,5,6,7,8,9,10,11,12-dodecaene

C33H24N2O3 — CID 160707197

IUPAC4-(2-methylpropoxy)-N-(3-phenyl-1,2-oxazol-5-yl)benzamide;trideca-1,2,3,4,5,6,7,8,9,10,11,12-dodecaene
SMILESC=C=C=C=C=C=C=C=C=C=C=C=C.CC(C)COc1ccc(C(=O)Nc2cc(-c3ccccc3)no2)cc1
InChIInChI=1S/C20H20N2O3.C13H4/c1-14(2)13-24-17-10-8-16(9-11-17)20(23)21-19-12-18(22-25-19)15-6-4-3-5-7-15;1-3-5-7-9-11-13-12-10-8-6-4-2/h3-12,14H,13H2,1-2H3,(H,21,23);1-2H2
InChIKeyRRJNWZBECAYEJB-UHFFFAOYSA-N
MW496.57 g/mol
LogP7.14
Rot. Bonds6

About 4-(2-methylpropoxy)-N-(3-phenyl-1,2-oxazol-5-yl)benzamide;trideca-1,2,3,4,5,6,7,8,9,10,11,12-dodecaene

4-(2-methylpropoxy)-N-(3-phenyl-1,2-oxazol-5-yl)benzamide;trideca-1,2,3,4,5,6,7,8,9,10,11,12-dodecaene (PubChem CID 160707197) has the molecular formula C33H24N2O3 and a molecular weight of 496.57 g/mol. Its IUPAC name is 4-(2-methylpropoxy)-N-(3-phenyl-1,2-oxazol-5-yl)benzamide;trideca-1,2,3,4,5,6,7,8,9,10,11,12-dodecaene.

Molecular Properties

Compound Name4-(2-methylpropoxy)-N-(3-phenyl-1,2-oxazol-5-yl)benzamide;trideca-1,2,3,4,5,6,7,8,9,10,11,12-dodecaene
PubChem CID160707197
Molecular FormulaC33H24N2O3
Molecular Weight496.57 g/mol
Exact Mass496.18
IUPAC Name4-(2-methylpropoxy)-N-(3-phenyl-1,2-oxazol-5-yl)benzamide;trideca-1,2,3,4,5,6,7,8,9,10,11,12-dodecaene
SMILESC=C=C=C=C=C=C=C=C=C=C=C=C.CC(C)COc1ccc(C(=O)Nc2cc(-c3ccccc3)no2)cc1
InChIInChI=1S/C20H20N2O3.C13H4/c1-14(2)13-24-17-10-8-16(9-11-17)20(23)21-19-12-18(22-25-19)15-6-4-3-5-7-15;1-3-5-7-9-11-13-12-10-8-6-4-2/h3-12,14H,13H2,1-2H3,(H,21,23);1-2H2
InChIKeyRRJNWZBECAYEJB-UHFFFAOYSA-N
XLogP7.14
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.57
LogP ≤ 57.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(4-bromophenyl)-1,2-oxazol-5-yl]-4-ethoxybenzamide
CID 17014685
N-[3-(4-bromophenyl)-1,2-oxazol-5-yl]-4-propoxybenzamide
CID 17014692
2-(4-tert-butylphenoxy)-N-(3-phenyl-1,2-oxazol-5-yl)acetamide
CID 17013529
N-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-4-pentoxybenzamide
CID 35344022
4-(2-methylpropoxy)-N-[3-(2-phenoxyethoxy)phenyl]benzamide
CID 17123566
4-cyano-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]benzamide
CID 56529985
4-(2-methylpropoxy)-N-[3-(2-methylpropoxy)phenyl]benzamide
CID 17079614
2-[[4-(2-methylpropoxy)benzoyl]amino]benzamide
CID 2995862
N-[4-(2-methylpropoxy)phenyl]-4-phenylmethoxybenzamide
CID 4958406
N-[(4-benzamidophenyl)carbamothioyl]-4-(2-methylpropoxy)benzamide
CID 17235735
N-[[[4-(2-methylpropoxy)benzoyl]amino]carbamothioyl]-4-phenylbenzamide
CID 4930224
4-(2-methylpropoxy)-N'-[4-(2-methylpropoxy)benzoyl]benzohydrazide
CID 4937273

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropoxy)-N-(3-phenyl-1,2-oxazol-5-yl)benzamide;trideca-1,2,3,4,5,6,7,8,9,10,11,12-dodecaene?
The IUPAC name of 4-(2-methylpropoxy)-N-(3-phenyl-1,2-oxazol-5-yl)benzamide;trideca-1,2,3,4,5,6,7,8,9,10,11,12-dodecaene (CID 160707197) is 4-(2-methylpropoxy)-N-(3-phenyl-1,2-oxazol-5-yl)benzamide;trideca-1,2,3,4,5,6,7,8,9,10,11,12-dodecaene.
What is the SMILES notation for 4-(2-methylpropoxy)-N-(3-phenyl-1,2-oxazol-5-yl)benzamide;trideca-1,2,3,4,5,6,7,8,9,10,11,12-dodecaene?
The canonical SMILES for 4-(2-methylpropoxy)-N-(3-phenyl-1,2-oxazol-5-yl)benzamide;trideca-1,2,3,4,5,6,7,8,9,10,11,12-dodecaene is C=C=C=C=C=C=C=C=C=C=C=C=C.CC(C)COc1ccc(C(=O)Nc2cc(-c3ccccc3)no2)cc1.
What is the InChIKey of 4-(2-methylpropoxy)-N-(3-phenyl-1,2-oxazol-5-yl)benzamide;trideca-1,2,3,4,5,6,7,8,9,10,11,12-dodecaene?
The InChIKey is RRJNWZBECAYEJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3.C13H4/c1-14(2)13-24-17-10-8-16(9-11-17)20(23)21-19-12-18(22-25-19)15-6-4-3-5-7-15;1-3-5-7-9-11-13-12-10-8-6-4-2/h3-12,14H,13H2,1-2H3,(H,21,23);1-2H2.
What are the key properties of 4-(2-methylpropoxy)-N-(3-phenyl-1,2-oxazol-5-yl)benzamide;trideca-1,2,3,4,5,6,7,8,9,10,11,12-dodecaene?
4-(2-methylpropoxy)-N-(3-phenyl-1,2-oxazol-5-yl)benzamide;trideca-1,2,3,4,5,6,7,8,9,10,11,12-dodecaene has a molecular weight of 496.57 g/mol, XLogP of 7.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropoxy)-N-(3-phenyl-1,2-oxazol-5-yl)benzamide;trideca-1,2,3,4,5,6,7,8,9,10,11,12-dodecaene is sourced from PubChem (CID 160707197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).